Phyto4Health

Kaempferol 3-O-Beta-D-Glucopyranosyl(1->3)-Alpha-L-Rhamnopyranosyl(1->6)-Beta-D-Galactopyranoside

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL1957045
PubChem: 20055968
IUPAC: 3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Standard InChI: InChI=1S/C33H40O20/c1-10-19(38)29(52-32-25(44)23(42)20(39)16(8-34)50-32)27(46)31(48-10)47-9-17-21(40)24(43)26(45)33(51-17)53-30-22(41)18-14(37)6-13(36)7-15(18)49-28(30)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,29,31-40,42-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21-,23-,24-,25+,26+,27+,29+,31+,32-,33-/m0/s1
Standard InChI Key: MFIXKYXSBNIMPX-CHLFRWFTSA-N
SMILES: OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@H](OC[C@H]3O[C@@H](Oc4c(oc5c(c4=O)c(O)cc(c5)O)c4ccc(cc4)O)[C@@H]([C@H]([C@H]3O)O)O)O[C@H]([C@@H]2O)C)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties

AlogP: -3.57
Hydrogen bonds acceptors: 20
Hydrogen bonds donors: 12
Rotatable bonds: 9
Number of rings: 6
Molecular Weight: 756.21
Topological polar surface area: 324
Number of aromatic rings: 3
Fsp3: 0.545
Number of carbons: 33

Plant sources

Part of plant Plant name Ref.
PlantCamellia sinensis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.