| Phytochemical Name : Eucommin A |
| PCNDIDE0105 |
| Pubchem CID : 442836 |
| Molecular formula: C27H34O12 |
| Canonical SMILES : COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C3C4COC(C4CO3)C5=CC(=C(C=C5)O)OC |
Synonymes : Eucommin A|(+)-eucommin A|99633-12-2|CHEBI:4914|CHEMBL1076999|C10560|(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol|beta-D-Glucopyranoside, 2,6-dimethoxy-4-[(1S,3aR,4S,6aR)-tetrahydro-4-(4-hydroxy-3-methoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]phenyl|AC1L9DHH|SureCN4743649|SCHEMBL4743649|DTXSID00331967|Medioresinol 4'-O-beta-D-glucopyranoside|Q27106540|(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxy-phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.270 |
| Log Po/w (XLOGP3) : 0.450 |
| Log Po/w (WLOGP) : 0.020 |
| Log Po/w (MLOGP) : -1.330 |
| Log Po/w (SILICOS-IT) : 0.600 |
| Consensus Log Po/w : 0.600 |