Identification
| Names | Quercetin 3-O-rhamnosyl-rhamnosyl-glucoside |
|---|---|
| Class | Flavonoids |
| Sub-Class | Flavonols |
| Family | Flavonols |
| Synonyms | Quercetin 3-O-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside |
| Chemical Formula | C33H40O20 |
| Aglycones | Quercetin |
| PubChem ID | 10283930 |
| CAS ID | - |
| ChEBI ID | - |
| SMILES | C[C@@H]1O[C@@H](O[C@H]2[C@H](C)O[C@@H](OC[C@H]3O[C@@H](OC4=C(OC5=CC(O)=CC(O)=C5C4=O)C4=CC(O)=C(O)C=C4)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
Quercetin 3-O-rhamnosyl-rhamnosyl-glucoside
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Topological Polar Surface Area | miLogP | Heavy Atom Count | Rotatable Count | Molecular Volume |
|---|---|---|---|---|---|---|---|
| 756.66 | 12 | 20 | 328.35 | -1.98 | 53 | 8 | 619.93 |
ADME Predicted Parameters*
| Alogp98 | Polar Surface Area | Absorption | Plasma Protein Binding | Blood Brain Barrier | CYP2D6 |
|---|---|---|---|---|---|
| -2.017 | 329.597 | 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 | Plausible | No Hit |
| TOPKAT | Carcinogen | Toxic | Non - Mutagen | None | Non - Toxic |
| VEGA | Non - Carcinogen | Toxicant | Non - Mutagen | Non - Sensitizer | Toxic |
* The values predicted by softwares. ADME - TOPKAT, Toxicity - Derek Nexus, TOPKAT and VEGA.