Kaempferol 3,7-Di-O-Beta-D-Glucopyranoside
Representations & DB's id
| ||
| ChEBI: | CHEBI:67928 | |
|---|---|---|
| ChEMBL: | CHEMBL2206209 | |
| PubChem: | 6325460 | |
| IUPAC: | 5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one | |
| Standard InChI: | InChI=1S/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-11-5-12(31)16-13(6-11)40-24(9-1-3-10(30)4-2-9)25(19(16)34)43-27-23(38)21(36)18(33)15(8-29)42-27/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1 | |
| Standard InChI Key: | XFFQVRFGLSBFON-DEFKTLOSSA-N | |
| SMILES: | OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(c(c3=O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O | |
Molecular propeties
| ||
| AlogP: | -2.77 | |
|---|---|---|
| Hydrogen bonds acceptors: | 16 | |
| Hydrogen bonds donors: | 10 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 5 | |
| Molecular Weight: | 610.15 | |
| Topological polar surface area: | 266 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.444 | |
| Number of carbons: | 27 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|