Biochanin A 7-O-xylosyl-(1->6)-glucoside
PubChem CID: 44257291
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| Compound Synonyms | Kakkanin, Biochanin A 7-O-xylosyl-(1->6)-glucoside, 63770-91-2, 5-hydroxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one, 5-hydroxy-3-(4-methoxyphenyl)-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxymethyl)oxan-2-yl)oxychromen-4-one, HY-N9375, LMPK12050222, AKOS040758251, CS-0159570, E88899 |
|---|---|
| Topological Polar Surface Area | 214.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 41.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 924.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | 5-hydroxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | -0.9 |
| Molecular Formula | C27H30O14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ODHKRSFJWQEWGG-HWGSVKNTSA-N |
| Fcsp3 | 0.4444444444444444 |
| Logs | -4.45 |
| Rotatable Bond Count | 7.0 |
| Logd | 0.385 |
| Compound Name | Biochanin A 7-O-xylosyl-(1->6)-glucoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 578.164 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 578.164 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 578.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.19522308780488 |
| Inchi | InChI=1S/C27H30O14/c1-36-12-4-2-11(3-5-12)14-8-37-17-7-13(6-15(28)19(17)20(14)30)40-27-25(35)23(33)22(32)18(41-27)10-39-26-24(34)21(31)16(29)9-38-26/h2-8,16,18,21-29,31-35H,9-10H2,1H3/t16-,18-,21+,22-,23+,24-,25-,26+,27-/m1/s1 |
| Smiles | COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Actinidia Chinensis (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Aesculus Chinensis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Albizia Chinensis (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Albizzia Chinensis (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Alpinia Chinensis (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Anthocephalus Chinensis (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Anthocercis Albicans (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Aralia Chinensis (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Artemisia Chinensis (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Arum Alpinum (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Arum Campanulatum (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Arum Colocasia (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Arum Cucullatum (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Arum Dioscoridis (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Arum Italicum (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Arum Macrorhizon (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Arum Maculatum (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Arum Maximum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Arum Montanum (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Arum Palaestinum (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Arum Ternatum (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Arundina Chinensis (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Asarum Maximum (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Astilbe Chinensis (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Atractylodes Chinensis (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Aucuba Chinensis (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Belamcanda Chinensis (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Blumea Chinensis (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Boerhavia Chinensis (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Breonia Chinensis (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Brugmansia Candida (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Chamomilla Recutita (Plant) Rel Props:Source_db:npass_chem_all - 35. Outgoing r'ship
FOUND_INto/from Clematis Chinensis (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Coptis Chinensis (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Cryptocarya Chinensis (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Cuscuta Chinensis (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Desmos Chinensis (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Dianthus Chinensis (Plant) Rel Props:Reference: - 41. Outgoing r'ship
FOUND_INto/from Dicliptera Chinensis (Plant) Rel Props:Reference: - 42. Outgoing r'ship
FOUND_INto/from Diplazium Maximum (Plant) Rel Props:Reference: - 43. Outgoing r'ship
FOUND_INto/from Eremurus Chinensis (Plant) Rel Props:Reference: - 44. Outgoing r'ship
FOUND_INto/from Euonymus Europaeus (Plant) Rel Props:Reference: - 45. Outgoing r'ship
FOUND_INto/from Fraxinus Chinensis (Plant) Rel Props:Reference: - 46. Outgoing r'ship
FOUND_INto/from Heliotropium Amplexicaule (Plant) Rel Props:Reference: - 47. Outgoing r'ship
FOUND_INto/from Heliotropium Angiospermum (Plant) Rel Props:Reference: - 48. Outgoing r'ship
FOUND_INto/from Heliotropium Arborescens (Plant) Rel Props:Reference: - 49. Outgoing r'ship
FOUND_INto/from Heliotropium Arguzioides (Plant) Rel Props:Reference: - 50. Outgoing r'ship
FOUND_INto/from Heliotropium Bacciferum (Plant) Rel Props:Reference: - 51. Outgoing r'ship
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FOUND_INto/from Heliotropium Currassavicum (Plant) Rel Props:Reference: - 55. Outgoing r'ship
FOUND_INto/from Heliotropium Digynum (Plant) Rel Props:Reference: - 56. Outgoing r'ship
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FOUND_INto/from Heliotropium Floridum (Plant) Rel Props:Reference: - 62. Outgoing r'ship
FOUND_INto/from Heliotropium Glutinosum (Plant) Rel Props:Reference: - 63. Outgoing r'ship
FOUND_INto/from Heliotropium Hirsutissimum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 64. Outgoing r'ship
FOUND_INto/from Heliotropium Hirsutum (Plant) Rel Props:Reference: - 65. Outgoing r'ship
FOUND_INto/from Heliotropium Indicum (Plant) Rel Props:Reference: - 66. Outgoing r'ship
FOUND_INto/from Heliotropium Keralens (Plant) Rel Props:Reference: - 67. Outgoing r'ship
FOUND_INto/from Heliotropium Keralense (Plant) Rel Props:Reference: - 68. Outgoing r'ship
FOUND_INto/from Heliotropium Lasiocarpum (Plant) Rel Props:Reference: - 69. Outgoing r'ship
FOUND_INto/from Heliotropium Marifolium (Plant) Rel Props:Reference: - 70. Outgoing r'ship
FOUND_INto/from Heliotropium Olgae (Plant) Rel Props:Reference: - 71. Outgoing r'ship
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FOUND_INto/from Heracleum Maximum (Plant) Rel Props:Reference: - 82. Outgoing r'ship
FOUND_INto/from Hydrangea Chinensis (Plant) Rel Props:Reference: - 83. Outgoing r'ship
FOUND_INto/from Impatiens Chinensis (Plant) Rel Props:Reference: - 84. Outgoing r'ship
FOUND_INto/from Inula Britannica (Plant) Rel Props:Reference: - 85. Outgoing r'ship
FOUND_INto/from Inulanthera Calva (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 86. Outgoing r'ship
FOUND_INto/from Iris Lactea (Plant) Rel Props:Reference: - 87. Outgoing r'ship
FOUND_INto/from Ixeris Chinensis (Plant) Rel Props:Reference: - 88. Outgoing r'ship
FOUND_INto/from Ixora Chinensis (Plant) Rel Props:Reference: - 89. Outgoing r'ship
FOUND_INto/from Juniperus Chinensis (Plant) Rel Props:Reference: - 90. Outgoing r'ship
FOUND_INto/from Klaseopsis Chinensis (Plant) Rel Props:Reference: - 91. Outgoing r'ship
FOUND_INto/from Leucanthemum Maximum (Plant) Rel Props:Reference: - 92. Outgoing r'ship
FOUND_INto/from Listea Chinensis (Plant) Rel Props:Reference: - 93. Outgoing r'ship
FOUND_INto/from Litchi Chinensis (Plant) Rel Props:Reference: - 94. Outgoing r'ship
FOUND_INto/from Lobelia Chinensis (Plant) Rel Props:Reference: - 95. Outgoing r'ship
FOUND_INto/from Lycopsis Europaeus (Plant) Rel Props:Reference: - 96. Outgoing r'ship
FOUND_INto/from Lycopus Europaeus (Plant) Rel Props:Reference: - 97. Outgoing r'ship
FOUND_INto/from Lysimachia Candida (Plant) Rel Props:Reference: - 98. Outgoing r'ship
FOUND_INto/from Matricaria Chamomilla (Plant) Rel Props:Reference: - 99. Outgoing r'ship
FOUND_INto/from Matsumurella Chinensis (Plant) Rel Props:Reference: - 100. Outgoing r'ship
FOUND_INto/from Mosla Chinensis (Plant) Rel Props:Reference: - 101. Outgoing r'ship
FOUND_INto/from Nicotiana Acuminata (Plant) Rel Props:Reference: - 102. Outgoing r'ship
FOUND_INto/from Nicotiana Affinis (Plant) Rel Props:Reference: - 103. Outgoing r'ship
FOUND_INto/from Nicotiana Debneyi (Plant) Rel Props:Reference: - 104. Outgoing r'ship
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FOUND_INto/from Nicotiana Plumbaginifolia (Plant) Rel Props:Reference: - 107. Outgoing r'ship
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FOUND_INto/from Nicotiana Undulata (Plant) Rel Props:Reference: - 112. Outgoing r'ship
FOUND_INto/from Odontosoria Chinensis (Plant) Rel Props:Reference: - 113. Outgoing r'ship
FOUND_INto/from Osbeckia Chinensis (Plant) Rel Props:Reference: - 114. Outgoing r'ship
FOUND_INto/from Paederia Chinensis (Plant) Rel Props:Reference: - 115. Outgoing r'ship
FOUND_INto/from Panicum Maximum (Plant) Rel Props:Reference: - 116. Outgoing r'ship
FOUND_INto/from Pentzia Calva (Plant) Rel Props:Reference: - 117. Outgoing r'ship
FOUND_INto/from Persicaria Chinensis (Plant) Rel Props:Reference: - 118. Outgoing r'ship
FOUND_INto/from Pistacia Chinensis (Plant) Rel Props:Reference: - 119. Outgoing r'ship
FOUND_INto/from Polygala Chinensis (Plant) Rel Props:Reference: - 120. Outgoing r'ship
FOUND_INto/from Potentilla Chinensis (Plant) Rel Props:Reference: - 121. Outgoing r'ship
FOUND_INto/from Pothos Chinensis (Plant) Rel Props:Reference: - 122. Outgoing r'ship
FOUND_INto/from Pulsatilla Chinensis (Plant) Rel Props:Reference: - 123. Outgoing r'ship
FOUND_INto/from Rhododendron Maximum (Plant) Rel Props:Reference: - 124. Outgoing r'ship
FOUND_INto/from Rhus Chinensis (Plant) Rel Props:Reference: - 125. Outgoing r'ship
FOUND_INto/from Rosa Chinensis (Plant) Rel Props:Reference: - 126. Outgoing r'ship
FOUND_INto/from Salacia Chinensis (Plant) Rel Props:Reference: - 127. Outgoing r'ship
FOUND_INto/from Saururus Chinensis (Plant) Rel Props:Reference: - 128. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Reference: - 129. Outgoing r'ship
FOUND_INto/from Scolopia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 130. Outgoing r'ship
FOUND_INto/from Scolopia Crenata (Plant) Rel Props:Reference: - 131. Outgoing r'ship
FOUND_INto/from Senecio Chinensis (Plant) Rel Props:Reference: - 132. Outgoing r'ship
FOUND_INto/from Simmondsia Chinensis (Plant) Rel Props:Reference: - 133. Outgoing r'ship
FOUND_INto/from Siphonostegia Chinensis (Plant) Rel Props:Reference: - 134. Outgoing r'ship
FOUND_INto/from Solidago Chinensis (Plant) Rel Props:Reference: - 135. Outgoing r'ship
FOUND_INto/from Sphenomeris Chinensis (Plant) Rel Props:Reference: - 136. Outgoing r'ship
FOUND_INto/from Spilanthes Calva (Plant) Rel Props:Reference: - 137. Outgoing r'ship
FOUND_INto/from Spilanthus Calva (Plant) Rel Props:Reference: - 138. Outgoing r'ship
FOUND_INto/from Stachys Chinensis (Plant) Rel Props:Reference: - 139. Outgoing r'ship
FOUND_INto/from Stauntonia Chinensis (Plant) Rel Props:Reference: - 140. Outgoing r'ship
FOUND_INto/from Swertia Chinensis (Plant) Rel Props:Reference: - 141. Outgoing r'ship
FOUND_INto/from Symplocos Chinensis (Plant) Rel Props:Reference: - 142. Outgoing r'ship
FOUND_INto/from Tamarix Chinensis (Plant) Rel Props:Reference: - 143. Outgoing r'ship
FOUND_INto/from Taxillus Chinensis (Plant) Rel Props:Reference: - 144. Outgoing r'ship
FOUND_INto/from Taxus Chinensis (Plant) Rel Props:Reference: - 145. Outgoing r'ship
FOUND_INto/from Tephrosia Candida (Plant) Rel Props:Reference: - 146. Outgoing r'ship
FOUND_INto/from Thermopsis Chinensis (Plant) Rel Props:Reference: - 147. Outgoing r'ship
FOUND_INto/from Trollius Chinensis (Plant) Rel Props:Reference: - 148. Outgoing r'ship
FOUND_INto/from Trollius Europaeus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 149. Outgoing r'ship
FOUND_INto/from Trollius Macropetalus (Plant) Rel Props:Reference: - 150. Outgoing r'ship
FOUND_INto/from Tsuga Chinensis (Plant) Rel Props:Reference: - 151. Outgoing r'ship
FOUND_INto/from Tupistra Chinensis (Plant) Rel Props:Reference: - 152. Outgoing r'ship
FOUND_INto/from Ulex Europaeus (Plant) Rel Props:Reference: - 153. Outgoing r'ship
FOUND_INto/from Vellozia Candida (Plant) Rel Props:Reference: - 154. Outgoing r'ship
FOUND_INto/from Wedelia Chinensis (Plant) Rel Props:Reference: - 155. Outgoing r'ship
FOUND_INto/from Zephyranthes Candida (Plant) Rel Props:Reference: