| Phytochemical Name : Isoquercitin |
| PCNDIDI0114 |
| Pubchem CID : 10813969 |
| Molecular formula: C21H20O12 |
| 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 : isoquercitin|Isoquercitrin|SCHEMBL13096300|Quercetin 3-.beta.-D-glucoside|3,3',4',5,7-Pentahydroxyflavone 3-.beta.-glucoside|2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl .beta.-D-glucopyranoside|2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.110 |
| Log Po/w (XLOGP3) : 0.360 |
| Log Po/w (WLOGP) : -0.540 |
| Log Po/w (MLOGP) : -2.590 |
| Log Po/w (SILICOS-IT) : -0.590 |
| Consensus Log Po/w : -0.250 |