| Phytochemical Name : Quercetin-3-glucoside |
| PCNDIDQ0009 |
| Pubchem CID : 25203368 |
| Molecular formula: C21H19O12- |
| Canonical SMILES : C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)[O-] |
Synonymes : quercetin-3-glucoside|Isotrifoliin|quercetin 3-O-beta-D-glucoside|quercetin-3-O-beta-D-glucoside|CHEBI:144437|quercetin 3-O-beta-D-glucopyranoside(1-)|2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-7-olate|4-[5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]-2-hydroxyphenolate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.220 |
| Log Po/w (XLOGP3) : 0.360 |
| Log Po/w (WLOGP) : -0.100 |
| Log Po/w (MLOGP) : -2.590 |
| Log Po/w (SILICOS-IT) : -0.590 |
| Consensus Log Po/w : -0.340 |