This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

PubChem CID: 44139740

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms CHEMBL540214
Topological Polar Surface Area 283.0
Hydrogen Bond Donor Count 10.0
Heavy Atom Count 44.0
Isotope Atom Count 0.0
Molecular Complexity 1070.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 10.0
Uniprot Id n.a.
Iupac Name (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Prediction Hob 0.0
Xlogp -0.8
Molecular Formula C27H28O17
Prediction Swissadme 0.0
Inchi Key WVVPBKNYYORVPY-RKYLLTSBSA-N
Fcsp3 0.4074074074074074
Logs -2.587
Rotatable Bond Count 7.0
Logd -0.252
Compound Name (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Prediction Hob Swissadme 0.0
Exact Mass 624.133
Formal Charge 0.0
Monoisotopic Mass 624.133
Hydrogen Bond Acceptor Count 17.0
Molecular Weight 624.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 10.0
Total Bond Stereocenter Count 0.0
Esol -2.4921157090909114
Inchi InChI=1S/C27H28O17/c28-7-16-18(33)20(35)24(44-26-22(37)19(34)21(36)23(43-26)25(38)39)27(42-16)40-9-4-12(31)17-13(32)6-14(41-15(17)5-9)8-1-2-10(29)11(30)3-8/h1-6,16,18-24,26-31,33-37H,7H2,(H,38,39)/t16-,18-,19+,20+,21+,22-,23+,24-,26+,27-/m1/s1
Smiles C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)O)O
Nring 5.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Acypha Ciliata (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Ajuga Ciliata (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Alangium Ridleyi (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Amorphophallus Campanulatus (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Bergenia Ciliata (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Dicentra Formosa (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Elsholtzia Blanda (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Elsholtzia Bodinieri (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Elsholtzia Communis (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Elsholtzia Cristata (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Elsholtzia Densa (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Elsholtzia Eriostachya (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Elsholtzia Fruticosa (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Elsholtzia Pilosa (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Elsholtzia Rugulosa (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Elsholtzia Splendens (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Elsholtzia Stauntonii (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Elsholtzia Strobilifera (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Eragrostis Ciliata (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Ficus Amplissima (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Ficus Arnottiana (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Ficus Asperrima (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Ficus Auriculata (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Ficus Benghalensis (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Ficus Benjamina (Plant) Rel Props:Source_db:npass_chem_all
  • 27. Outgoing r'ship FOUND_IN to/from Ficus Callosa (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Ficus Carica (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Ficus Conraui (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Ficus Cordata (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Ficus Cordifolia (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Ficus Dalhousiae (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Ficus Drupacea (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Ficus Elastica (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Ficus Exasperata (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Ficus Fistulosa (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Ficus Formosana (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Ficus Fulva (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Ficus Gibbosa (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Ficus Glabella (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Ficus Glomerata (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Ficus Grossularioides (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Ficus Heterophylla (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Ficus Hirta (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Ficus Hispida (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Ficus Indica (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Ficus Infectoria (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Ficus Lacor (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Ficus Maxima (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Ficus Microcarpa (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Ficus Mollis (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Ficus Mucuso (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Ficus Neriifolia (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Ficus Nervosa (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Ficus Oppositifolia (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Ficus Palmata (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Ficus Pumila (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Ficus Racemosa (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Ficus Religiosa (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Ficus Retusa (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Ficus Roxburghii (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Ficus Ruficaulis (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Ficus Rumphii (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Ficus Sarmentosa (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Ficus Scandens (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Ficus Semicordata (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Ficus Septica (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Ficus Simplicissima (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Ficus Talboti (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Ficus Tinctoria (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Ficus Tomentosa (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Ficus Tsjahela (Plant) Rel Props:Reference:
  • 73. Outgoing r'ship FOUND_IN to/from Ficus Tsjakela (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Ficus Virens (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Justicia Ciliata (Plant) Rel Props:Reference:
  • 76. Outgoing r'ship FOUND_IN to/from Leycesteria Formosa (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Lindernia Ciliata (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Pieris Formosa (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Pistia Stratiotes (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Pometia Eximia (Plant) Rel Props:Reference:
  • 81. Outgoing r'ship FOUND_IN to/from Pometia Ridleyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 82. Outgoing r'ship FOUND_IN to/from Populus Ciliata (Plant) Rel Props:Reference:
  • 83. Outgoing r'ship FOUND_IN to/from Randia Formosa (Plant) Rel Props:Reference:
  • 84. Outgoing r'ship FOUND_IN to/from Ranunculus Asiaticus (Plant) Rel Props:Reference:
  • 85. Outgoing r'ship FOUND_IN to/from Spiraea Formosa (Plant) Rel Props:Reference:
  • 86. Outgoing r'ship FOUND_IN to/from Stahlianthus Involucratus (Plant) Rel Props:Reference:
  • 87. Outgoing r'ship FOUND_IN to/from Strobilanthes Ciliata (Plant) Rel Props:Reference:
  • 88. Outgoing r'ship FOUND_IN to/from Swertia Ciliata (Plant) Rel Props:Reference:
  • 89. Outgoing r'ship FOUND_IN to/from Toona Ciliata (Plant) Rel Props:Reference:
Back to Browse   Back to Home