| Phytochemical Name : Medicarpin 3-O-glucoside |
| PCNDIDM0035 |
| Pubchem CID : 23724664 |
| Molecular formula: C22H24O9 |
| Canonical SMILES : COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O |
Synonymes : (-)-Medicocarpin|Medicarpin 3-O-glucoside|52766-70-8|(-)-medicarpin-3-O-glucoside|CHEBI:80390|(2S,3R,4S,5S,6R)-2-[[(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol|beta-D-Glucopyranoside, (6aR,11aR)-6a,11a-dihydro-9-methoxy-6H-benzofuro[3,2-c][1]benzopyran-3-yl|(?)-Medicocarpin|CHEMBL517330|DTXSID501312756|AKOS040762031|Q27149413 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.810 |
| Log Po/w (XLOGP3) : 0.810 |
| Log Po/w (WLOGP) : 0.160 |
| Log Po/w (MLOGP) : -0.350 |
| Log Po/w (SILICOS-IT) : 0.560 |
| Consensus Log Po/w : 0.800 |