| Phytochemical Name : Vanillyl beta-D-glucopyranoside |
| PCNDIDV0009 |
| Pubchem CID : 21627672 |
| Molecular formula: C14H20O8 |
| Canonical SMILES : COC1=C(C=CC(=C1)COC2C(C(C(C(O2)CO)O)O)O)O |
Synonymes : Vanillyl beta-D-glucopyranoside|Vanillyl-B-D-Glucoside|bmse010047|CHEBI:86958|Q27159294|(4-hydroxy-3-methoxyphenyl)methyl beta-D-glucopyranoside|2-(4-Hydroxy-3-methoxybenzyloxy)-6-hydroxymethyltetrahydropyran-3,4,5-triol|(2R,3R,4S,5S,6R)-2-[(4-hydroxy-3-methoxy-phenyl)methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol|(2R,3R,4S,5S,6R)-2-[(4-hydroxy-3-methoxyphenyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.550 |
| Log Po/w (XLOGP3) : -1.080 |
| Log Po/w (WLOGP) : -1.430 |
| Log Po/w (MLOGP) : -1.740 |
| Log Po/w (SILICOS-IT) : -0.800 |
| Consensus Log Po/w : -0.700 |