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kaempferol 3-O-beta-D-glucopyranosyl-7-O-alpha-L-rhamnopyranoside

PubChem CID: 21606527

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Compound Synonyms CHEMBL1929193, CHEBI:68882, kaempferol 3-O-beta-D-glucopyranosyl-7-O-alpha-L-rhamnopyranoside, 4H-1-Benzopyran-4-one, 7-[(6-deoxy-, A-L-mannopyranosyl)oxy]-3-(, A-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-, 5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one, 4H-1-Benzopyran-4-one, 7-[(6-deoxy-, Kaempferol 3-glucoside 7-rhamnoside, A-L-mannopyranosyl)oxy]-3-(, SCHEMBL9993267, DTXSID90946741, BDBM50359314, AKOS030553662, kaempferol 3-O-glucoside 7-O-rhamnoside, XK161849, NS00097623, Q27137238, Kaempferol 3-O-beta-glucopyranoside-7-O-alpha-rhamnopyranoside, kaempferol-3-O-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside, 4H-1-Benzopyran-4-one, 7-[(6-deoxy--L-mannopyranosyl)oxy]-3-(-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-, 4H-1-Benzopyran-4-one, 7-[(6-deoxy-I+/--L-mannopyranosyl)oxy]-3-(I(2)-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-, 7-[(6-Deoxy-a-L-mannopyranosyl)oxy]-3-(B-D-glucopyranosyloxy)-5-hydroxy- 2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol 3-O-B-D -glucopyranoside 7-O-a-L-rhamnopyranoside, 7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside
Topological Polar Surface Area 245.0
Hydrogen Bond Donor Count 9.0
Heavy Atom Count 42.0
Isotope Atom Count 0.0
Molecular Complexity 985.0
Database Name cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 10.0
Uniprot Id P11387, P11388
Iupac Name 5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Prediction Hob 0.0
Target Id NPT143, NPT1044
Xlogp -0.6
Molecular Formula C27H30O15
Prediction Swissadme 0.0
Inchi Key JYXSWDCPHRTYGU-RVCYDTIBSA-N
Fcsp3 0.4444444444444444
Logs -4.484
Rotatable Bond Count 6.0
Logd -0.179
Compound Name kaempferol 3-O-beta-D-glucopyranosyl-7-O-alpha-L-rhamnopyranoside
Prediction Hob Swissadme 0.0
Exact Mass 594.158
Formal Charge 0.0
Monoisotopic Mass 594.158
Hydrogen Bond Acceptor Count 15.0
Molecular Weight 594.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 10.0
Total Bond Stereocenter Count 0.0
Esol -2.674841161904765
Inchi InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(38-9)39-12-6-13(30)16-14(7-12)40-24(10-2-4-11(29)5-3-10)25(19(16)33)42-27-23(37)21(35)18(32)15(8-28)41-27/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26-,27-/m0/s1
Smiles C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=C(C=C5)O)O)O)O)O
Nring 5.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Canarium Album (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Celastrus Orbiculatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Clematis Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Dorycnium Hirsutum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Filicium Decipiens (Plant) Rel Props:Source_db:npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Ilex Hainanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Melicope Sarcococca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Morus Rubra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Nephelium Lappaceum (Plant) Rel Props:Source_db:npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Plinia Cauliflora (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Pteris Australis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Sideritis Nutans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Stenomesson Miniatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Uncaria Guianensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Urena Lobata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Vicia Faba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Waltheria Americana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Xylopia Brasiliensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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