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(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[3-(4-hydroxy-2,3,6-trimethoxyphenyl)propyl]-2-methoxyphenoxy]oxane-3,4,5-triol

PubChem CID: 46184808

Connections displayed (default: 10).
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Compound Synonyms CHEMBL1094045
Topological Polar Surface Area 157.0
Hydrogen Bond Donor Count 5.0
Heavy Atom Count 36.0
Isotope Atom Count 0.0
Molecular Complexity 639.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Iupac Name (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[3-(4-hydroxy-2,3,6-trimethoxyphenyl)propyl]-2-methoxyphenoxy]oxane-3,4,5-triol
Prediction Hob 0.0
Xlogp 2.1
Molecular Formula C25H34O11
Prediction Swissadme 0.0
Inchi Key ISROVTKXFHMBAY-YPHVFAKOSA-N
Fcsp3 0.52
Logs -3.471
Rotatable Bond Count 11.0
Logd 1.892
Compound Name (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[3-(4-hydroxy-2,3,6-trimethoxyphenyl)propyl]-2-methoxyphenoxy]oxane-3,4,5-triol
Prediction Hob Swissadme 0.0
Exact Mass 510.21
Formal Charge 0.0
Monoisotopic Mass 510.21
Hydrogen Bond Acceptor Count 11.0
Molecular Weight 510.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Esol -3.817489866666667
Inchi InChI=1S/C25H34O11/c1-31-17-11-15(27)24(34-4)23(33-3)14(17)7-5-6-13-8-9-16(18(10-13)32-2)35-25-22(30)21(29)20(28)19(12-26)36-25/h8-11,19-22,25-30H,5-7,12H2,1-4H3/t19-,20-,21+,22-,25-/m1/s1
Smiles COC1=C(C=CC(=C1)CCCC2=C(C=C(C(=C2OC)OC)O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Aloe Vulgaris (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Amelanchier Vulgaris (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Aquilegia Vulgaris (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Argyreia Speciosa (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Artemisia Vulgaris (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Asclepias Speciosa (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Bambusa Vulgaris (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Barbarea Vulgaris (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Berberis Vulgaris (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Beta Vulgaris (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Chaenomeles Speciosa (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Citrullus Lanatus (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Citrullus Vulgaris (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Erythrina Speciosa (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Euphrasia Vulgaris (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Falcaria Vulgaris (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Garcinia Speciosa (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Gendarussa Vulgaris (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Guettarda Speciosa (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Hippuris Vulgaris (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Hymenocallis Speciosa (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Hypolepis Punctata (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Jacobaea Vulgaris (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Lagenaria Vulgaris (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Lagerstroemia Speciosa (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Linaria Vulgaris (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Mitragyna Speciosa (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Mosla Punctata (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Odontites Vulgaris (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Opuntia Vulgaris (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Orobanche Speciosa (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Pedicularis Punctata (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Phaseolus Vulgaris (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Picea Abies (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Picea Breweriana (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Picea Engelmannii (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Picea Glauca (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Picea Glehnii (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Picea Jezoensis (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Picea Mariana (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Picea Obovata (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Picea Rubens (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Picea Sitchensis (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Picea Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 45. Outgoing r'ship FOUND_IN to/from Pinguicula Vulgaris (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Pinus Picea (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Polygala Vulgaris (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Prunella Vulgaris (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Prunus Speciosa (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Quamoclit Vulgaris (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Rhus Vulgaris (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Satureja Vulgaris (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Senecio Vulgaris (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Sesbania Speciosa (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Silene Vulgaris (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Swertia Alata (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Swertia Angustifolia (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Swertia Bimaculata (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Swertia Calycina (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Swertia Chinensis (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Swertia Chirata (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Swertia Chirayita (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Swertia Ciliata (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Swertia Cincta (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Swertia Cordata (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Swertia Corymbosa (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Swertia Decora (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Swertia Decussata (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Swertia Delavayi (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Swertia Densiflora (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Swertia Dilatata (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Swertia Erythrosticta (Plant) Rel Props:Reference:
  • 73. Outgoing r'ship FOUND_IN to/from Swertia Fasciculata (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Swertia Franchetiana (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Swertia Hickinii (Plant) Rel Props:Reference:
  • 76. Outgoing r'ship FOUND_IN to/from Swertia Japonica (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Swertia Kouitchensis (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Swertia Lawii (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Swertia Leduci (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Swertia Leducii (Plant) Rel Props:Reference:
  • 81. Outgoing r'ship FOUND_IN to/from Swertia Lloydioides (Plant) Rel Props:Reference:
  • 82. Outgoing r'ship FOUND_IN to/from Swertia Macrosperma (Plant) Rel Props:Reference:
  • 83. Outgoing r'ship FOUND_IN to/from Swertia Minor (Plant) Rel Props:Reference:
  • 84. Outgoing r'ship FOUND_IN to/from Swertia Mussotii (Plant) Rel Props:Reference:
  • 85. Outgoing r'ship FOUND_IN to/from Swertia Nervosa (Plant) Rel Props:Reference:
  • 86. Outgoing r'ship FOUND_IN to/from Swertia Paniculata (Plant) Rel Props:Reference:
  • 87. Outgoing r'ship FOUND_IN to/from Swertia Patens (Plant) Rel Props:Reference:
  • 88. Outgoing r'ship FOUND_IN to/from Swertia Perennis (Plant) Rel Props:Reference:
  • 89. Outgoing r'ship FOUND_IN to/from Swertia Petiolata (Plant) Rel Props:Reference:
  • 90. Outgoing r'ship FOUND_IN to/from Swertia Pseudochinensis (Plant) Rel Props:Reference:
  • 91. Outgoing r'ship FOUND_IN to/from Swertia Pubescens (Plant) Rel Props:Reference:
  • 92. Outgoing r'ship FOUND_IN to/from Swertia Pulchella (Plant) Rel Props:Reference:
  • 93. Outgoing r'ship FOUND_IN to/from Swertia Punctata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 94. Outgoing r'ship FOUND_IN to/from Swertia Punicea (Plant) Rel Props:Reference:
  • 95. Outgoing r'ship FOUND_IN to/from Swertia Purpurascens (Plant) Rel Props:Reference:
  • 96. Outgoing r'ship FOUND_IN to/from Swertia Randainensis (Plant) Rel Props:Reference:
  • 97. Outgoing r'ship FOUND_IN to/from Swertia Spaciosa (Plant) Rel Props:Reference:
  • 98. Outgoing r'ship FOUND_IN to/from Swertia Swertiopsis (Plant) Rel Props:Reference:
  • 99. Outgoing r'ship FOUND_IN to/from Swertia Swertopsis (Plant) Rel Props:Reference:
  • 100. Outgoing r'ship FOUND_IN to/from Swertia Thomsonii (Plant) Rel Props:Reference:
  • 101. Outgoing r'ship FOUND_IN to/from Swertia Tosaensis (Plant) Rel Props:Reference:
  • 102. Outgoing r'ship FOUND_IN to/from Syringa Vulgaris (Plant) Rel Props:Reference:
  • 103. Outgoing r'ship FOUND_IN to/from Telekia Speciosa (Plant) Rel Props:Reference:
  • 104. Outgoing r'ship FOUND_IN to/from Thymus Vulgaris (Plant) Rel Props:Reference:
  • 105. Outgoing r'ship FOUND_IN to/from Tilia Vulgaris (Plant) Rel Props:Reference:
  • 106. Outgoing r'ship FOUND_IN to/from Ursinia Speciosa (Plant) Rel Props:Reference:
  • 107. Outgoing r'ship FOUND_IN to/from Utricularia Vulgaris (Plant) Rel Props:Reference:
  • 108. Outgoing r'ship FOUND_IN to/from Vepris Punctata (Plant) Rel Props:Reference:
  • 109. Outgoing r'ship FOUND_IN to/from Viscum Album (Plant) Rel Props:Reference:
  • 110. Outgoing r'ship FOUND_IN to/from Viscum Angulatum (Plant) Rel Props:Reference:
  • 111. Outgoing r'ship FOUND_IN to/from Viscum Articulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 112. Outgoing r'ship FOUND_IN to/from Viscum Coloratum (Plant) Rel Props:Reference:
  • 113. Outgoing r'ship FOUND_IN to/from Viscum Cruciatum (Plant) Rel Props:Reference:
  • 114. Outgoing r'ship FOUND_IN to/from Viscum Monoicum (Plant) Rel Props:Reference:
  • 115. Outgoing r'ship FOUND_IN to/from Viscum Multinerve (Plant) Rel Props:Reference:
  • 116. Outgoing r'ship FOUND_IN to/from Viscum Nepalense (Plant) Rel Props:Reference:
  • 117. Outgoing r'ship FOUND_IN to/from Viscum Orientale (Plant) Rel Props:Reference:
  • 118. Outgoing r'ship FOUND_IN to/from Zizyphus Vulgaris (Plant) Rel Props:Reference:
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