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(3S,4S,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

PubChem CID: 44258403

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Compound Synonyms LMPK12111081
Topological Polar Surface Area 183.0
Hydrogen Bond Donor Count 6.0
Heavy Atom Count 32.0
Isotope Atom Count 0.0
Molecular Complexity 748.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 3.0
Iupac Name (3S,4S,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Prediction Hob 0.0
Xlogp 1.1
Molecular Formula C21H18O11
Prediction Swissadme 0.0
Inchi Key IKIIZLYTISPENI-ZAJNMQHRSA-N
Fcsp3 0.238095238095238
Logs -4.153
Rotatable Bond Count 4.0
Logd 3.53
Compound Name (3S,4S,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Prediction Hob Swissadme 0.0
Exact Mass 446.085
Formal Charge 0.0
Monoisotopic Mass 446.085
Hydrogen Bond Acceptor Count 11.0
Molecular Weight 446.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Esol -2.9150568000000003
Inchi InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18?,19?,21+/m0/s1
Smiles C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4C([C@H]([C@@H](C(O4)C(=O)O)O)O)O)O)O
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Abroma Radix (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Abutilon Indicum (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Alisma Plantago (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Arthrocnemum Indicum (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Astrantia Major (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Atista Radix (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Avagola Plantago (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Bryodesma Indicum (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Caesalpinia Major (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Canarium Indicum (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Cerastium Indicum (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Chrysanthellum Indicum (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Chrysanthemum Indicum (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Claoxylon Indicum (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Clerodendron Indicum (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Clerodendrum Indicum (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Codonopsis Radix (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Combretum Indicum (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Crataegus Pinnatifida (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Damnacanthus Major (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Dischidia Major (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Distemon Indicum (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Echinopsis Radix (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Ephedra Major (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Euphorbia Hypericifolia (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Gnaphalium Indicum (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Gossypium Indicum (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Heliophylum Indicum (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Heliotropium Indicum (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Hemerocallis Radix (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Imperata Cylindrica (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Limeum Indicum (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Limnanthemum Indicum (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Melanthium Indicum (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Melianthus Major (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Melilotus Indicus (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Nasturtium Indicum (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Nerium Indicum (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Nymphoides Indicum (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Oroxylum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 41. Outgoing r'ship FOUND_IN to/from Pentanema Indicum (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Phyllocephalum Indicum (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Plantago Afra (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Plantago Alpina (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Plantago Amplexicaulis (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Plantago Asiatica (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Plantago Bellardi (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Plantago Cornuti (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Plantago Depressa (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Plantago Erosa (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Plantago Himalaica (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Plantago Hostifolia (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Plantago Indica (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Plantago Lanceolata (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Plantago Lundborgii (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Plantago Major (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 57. Outgoing r'ship FOUND_IN to/from Plantago Media (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Plantago Ovata (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Plantago Pua (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Plantago Uniflora (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Poeciloneuron Indicum (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Polyscias Scutellaria (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Salvia Aegyptiaca (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Salvia Bowleyana (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Salvia Broussonetii (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Salvia Bulleyana (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Salvia Cana (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Salvia Canariensis (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Salvia Carduacea (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Salvia Castanea (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Salvia Cilicica (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Salvia Clevelandii (Plant) Rel Props:Reference:
  • 73. Outgoing r'ship FOUND_IN to/from Salvia Coccinea (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Salvia Coulteri (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Salvia Cyanescens (Plant) Rel Props:Reference:
  • 76. Outgoing r'ship FOUND_IN to/from Salvia Dichroa (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Salvia Digitaloides (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Salvia Divaricata (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Salvia Dorrii (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Salvia Flava (Plant) Rel Props:Reference:
  • 81. Outgoing r'ship FOUND_IN to/from Salvia Glutinosa (Plant) Rel Props:Reference:
  • 82. Outgoing r'ship FOUND_IN to/from Salvia Greggii (Plant) Rel Props:Reference:
  • 83. Outgoing r'ship FOUND_IN to/from Salvia Hians (Plant) Rel Props:Reference:
  • 84. Outgoing r'ship FOUND_IN to/from Salvia Hispanica (Plant) Rel Props:Reference:
  • 85. Outgoing r'ship FOUND_IN to/from Salvia Horminum (Plant) Rel Props:Reference:
  • 86. Outgoing r'ship FOUND_IN to/from Salvia Hydrangea (Plant) Rel Props:Reference:
  • 87. Outgoing r'ship FOUND_IN to/from Salvia Karabachensis (Plant) Rel Props:Reference:
  • 88. Outgoing r'ship FOUND_IN to/from Salvia Lanigera (Plant) Rel Props:Reference:
  • 89. Outgoing r'ship FOUND_IN to/from Salvia Lasiantha (Plant) Rel Props:Reference:
  • 90. Outgoing r'ship FOUND_IN to/from Salvia Lavandulifolia (Plant) Rel Props:Reference:
  • 91. Outgoing r'ship FOUND_IN to/from Salvia Lavanduloides (Plant) Rel Props:Reference:
  • 92. Outgoing r'ship FOUND_IN to/from Salvia Leucantha (Plant) Rel Props:Reference:
  • 93. Outgoing r'ship FOUND_IN to/from Salvia Lineata (Plant) Rel Props:Reference:
  • 94. Outgoing r'ship FOUND_IN to/from Salvia Mellifera (Plant) Rel Props:Reference:
  • 95. Outgoing r'ship FOUND_IN to/from Salvia Microstegia (Plant) Rel Props:Reference:
  • 96. Outgoing r'ship FOUND_IN to/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 97. Outgoing r'ship FOUND_IN to/from Salvia Miniata (Plant) Rel Props:Reference:
  • 98. Outgoing r'ship FOUND_IN to/from Salvia Mirzayanii (Plant) Rel Props:Reference:
  • 99. Outgoing r'ship FOUND_IN to/from Salvia Moorcroftiana (Plant) Rel Props:Reference:
  • 100. Outgoing r'ship FOUND_IN to/from Salvia Mukerjeei (Plant) Rel Props:Reference:
  • 101. Outgoing r'ship FOUND_IN to/from Salvia Munzii (Plant) Rel Props:Reference:
  • 102. Outgoing r'ship FOUND_IN to/from Salvia Nemorosa (Plant) Rel Props:Reference:
  • 103. Outgoing r'ship FOUND_IN to/from Salvia Nubicola (Plant) Rel Props:Reference:
  • 104. Outgoing r'ship FOUND_IN to/from Salvia Officinalis (Plant) Rel Props:Reference:
  • 105. Outgoing r'ship FOUND_IN to/from Salvia Oxyodon (Plant) Rel Props:Reference:
  • 106. Outgoing r'ship FOUND_IN to/from Salvia Pachyphylla (Plant) Rel Props:Reference:
  • 107. Outgoing r'ship FOUND_IN to/from Salvia Palaestina (Plant) Rel Props:Reference:
  • 108. Outgoing r'ship FOUND_IN to/from Salvia Parryi (Plant) Rel Props:Reference:
  • 109. Outgoing r'ship FOUND_IN to/from Salvia Patens (Plant) Rel Props:Reference:
  • 110. Outgoing r'ship FOUND_IN to/from Salvia Pisidica (Plant) Rel Props:Reference:
  • 111. Outgoing r'ship FOUND_IN to/from Salvia Plebeia (Plant) Rel Props:Reference:
  • 112. Outgoing r'ship FOUND_IN to/from Salvia Polystachya (Plant) Rel Props:Reference:
  • 113. Outgoing r'ship FOUND_IN to/from Salvia Pratensis (Plant) Rel Props:Reference:
  • 114. Outgoing r'ship FOUND_IN to/from Salvia Prionitis (Plant) Rel Props:Reference:
  • 115. Outgoing r'ship FOUND_IN to/from Salvia Przewalskii (Plant) Rel Props:Reference:
  • 116. Outgoing r'ship FOUND_IN to/from Salvia Przewalskll (Plant) Rel Props:Reference:
  • 117. Outgoing r'ship FOUND_IN to/from Salvia Roborowskii (Plant) Rel Props:Reference:
  • 118. Outgoing r'ship FOUND_IN to/from Salvia Sclarea (Plant) Rel Props:Reference:
  • 119. Outgoing r'ship FOUND_IN to/from Salvia Sessei (Plant) Rel Props:Reference:
  • 120. Outgoing r'ship FOUND_IN to/from Salvia Sinica (Plant) Rel Props:Reference:
  • 121. Outgoing r'ship FOUND_IN to/from Salvia Spinosa (Plant) Rel Props:Reference:
  • 122. Outgoing r'ship FOUND_IN to/from Salvia Splendens (Plant) Rel Props:Reference:
  • 123. Outgoing r'ship FOUND_IN to/from Salvia Spp (Plant) Rel Props:Reference:
  • 124. Outgoing r'ship FOUND_IN to/from Salvia Staminea (Plant) Rel Props:Reference:
  • 125. Outgoing r'ship FOUND_IN to/from Salvia Syriaca (Plant) Rel Props:Reference:
  • 126. Outgoing r'ship FOUND_IN to/from Salvia Tomentosa (Plant) Rel Props:Reference:
  • 127. Outgoing r'ship FOUND_IN to/from Salvia Trijuga (Plant) Rel Props:Reference:
  • 128. Outgoing r'ship FOUND_IN to/from Salvia Urolepis (Plant) Rel Props:Reference:
  • 129. Outgoing r'ship FOUND_IN to/from Salvia Verbenaca (Plant) Rel Props:Reference:
  • 130. Outgoing r'ship FOUND_IN to/from Salvia Virgata (Plant) Rel Props:Reference:
  • 131. Outgoing r'ship FOUND_IN to/from Salvia Viridis (Plant) Rel Props:Reference:
  • 132. Outgoing r'ship FOUND_IN to/from Salvia Wiedemannii (Plant) Rel Props:Reference:
  • 133. Outgoing r'ship FOUND_IN to/from Salvia Xalapensis (Plant) Rel Props:Reference:
  • 134. Outgoing r'ship FOUND_IN to/from Salvia Yosgadensis (Plant) Rel Props:Reference:
  • 135. Outgoing r'ship FOUND_IN to/from Salvia Yunnanensis (Plant) Rel Props:Reference:
  • 136. Outgoing r'ship FOUND_IN to/from Sandoricum Indicum (Plant) Rel Props:Reference:
  • 137. Outgoing r'ship FOUND_IN to/from Sapium Indicum (Plant) Rel Props:Reference:
  • 138. Outgoing r'ship FOUND_IN to/from Scutellaria Albida (Plant) Rel Props:Reference:
  • 139. Outgoing r'ship FOUND_IN to/from Scutellaria Altissima (Plant) Rel Props:Reference:
  • 140. Outgoing r'ship FOUND_IN to/from Scutellaria Amoena (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 141. Outgoing r'ship FOUND_IN to/from Scutellaria Baicalensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all; Reference:
  • 142. Outgoing r'ship FOUND_IN to/from Scutellaria Barbata (Plant) Rel Props:Reference:
  • 143. Outgoing r'ship FOUND_IN to/from Scutellaria Discolor (Plant) Rel Props:Reference:
  • 144. Outgoing r'ship FOUND_IN to/from Scutellaria Epilobifolia (Plant) Rel Props:Reference:
  • 145. Outgoing r'ship FOUND_IN to/from Scutellaria Galericulata (Plant) Rel Props:Reference:
  • 146. Outgoing r'ship FOUND_IN to/from Scutellaria Glabra (Plant) Rel Props:Reference:
  • 147. Outgoing r'ship FOUND_IN to/from Scutellaria Hypericifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 148. Outgoing r'ship FOUND_IN to/from Scutellaria Indica (Plant) Rel Props:Reference:
  • 149. Outgoing r'ship FOUND_IN to/from Scutellaria Lateriflora (Plant) Rel Props:Reference:
  • 150. Outgoing r'ship FOUND_IN to/from Scutellaria Likiangensis (Plant) Rel Props:Reference:
  • 151. Outgoing r'ship FOUND_IN to/from Scutellaria Orientalis (Plant) Rel Props:Reference:
  • 152. Outgoing r'ship FOUND_IN to/from Scutellaria Prostata (Plant) Rel Props:Reference:
  • 153. Outgoing r'ship FOUND_IN to/from Scutellaria Przewalskii (Plant) Rel Props:Reference:
  • 154. Outgoing r'ship FOUND_IN to/from Scutellaria Rehderiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 155. Outgoing r'ship FOUND_IN to/from Scutellaria Scandens (Plant) Rel Props:Reference:
  • 156. Outgoing r'ship FOUND_IN to/from Scutellaria Seleriana (Plant) Rel Props:Reference:
  • 157. Outgoing r'ship FOUND_IN to/from Scutellaria Sieberi (Plant) Rel Props:Reference:
  • 158. Outgoing r'ship FOUND_IN to/from Scutellaria Viscidula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 159. Outgoing r'ship FOUND_IN to/from Sesamum Indicum (Plant) Rel Props:Reference:
  • 160. Outgoing r'ship FOUND_IN to/from Seseli Indicum (Plant) Rel Props:Reference:
  • 161. Outgoing r'ship FOUND_IN to/from Solanum Indicum (Plant) Rel Props:Reference:
  • 162. Outgoing r'ship FOUND_IN to/from Tiaridium Indicum (Plant) Rel Props:Reference:
  • 163. Outgoing r'ship FOUND_IN to/from Trichodesma Indicum (Plant) Rel Props:Reference:
  • 164. Outgoing r'ship FOUND_IN to/from Vicia Amoena (Plant) Rel Props:Reference:
  • 165. Outgoing r'ship FOUND_IN to/from Vinca Major (Plant) Rel Props:Reference:
  • 166. Outgoing r'ship FOUND_IN to/from Xanthium Indicum (Plant) Rel Props:Reference:
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