Identification
| Names | Kaempferol 3-O-(6''-acetyl-galactoside) 7-O-rhamnoside |
|---|---|
| Class | Flavonoids |
| Sub-Class | Flavonols |
| Family | Flavonols |
| Synonyms | Not Available |
| Chemical Formula | C29H32O16 |
| Aglycones | Kaempferol |
| PubChem ID | - |
| CAS ID | - |
| ChEBI ID | - |
| SMILES | [H][C@@]1(C)O[C@@]([H])(OC2=CC(O)=C3C(=O)C(O[C@]4([H])O[C@]([H])(COC(C)=O)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)=C(OC3=C2)C2=CC=C(O)C=C2)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])O |
Kaempferol 3-O-(6''-acetyl-galactoside) 7-O-rhamnoside
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Topological Polar Surface Area | miLogP | Heavy Atom Count | Rotatable Count | Molecular Volume |
|---|---|---|---|---|---|---|---|
| 636.56 | 8 | 16 | 255.28 | 0.05 | 45 | 8 | 524.56 |
ADME Predicted Parameters*
| Alogp98 | Polar Surface Area | Absorption | Plasma Protein Binding | Blood Brain Barrier | CYP2D6 |
|---|---|---|---|---|---|
| -0.72 | 254.706 | Very Low | Non - Binder | Undefined | Non - Inhibitor |
Toxicity Predicted Parameters*
| Software | Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Sensitisation | Hepatotoxicity |
|---|---|---|---|---|---|
| Derek Nexus | No Hit | No Hit | No Hit | Equivocal | No Hit |
| TOPKAT | Non - Carcinogen | Toxic | Non - Mutagen | None | Toxic |
| VEGA | Non - Carcinogen | Toxicant | Non - Mutagen | Non - Sensitizer | Toxic |
* The values predicted by softwares. ADME - TOPKAT, Toxicity - Derek Nexus, TOPKAT and VEGA.