| Pubchem CID : 6450081 |
| Molecular formula: C36H48O18 |
| Canonical SMILES : CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC=C(C=C3)O)O)O)O)O)OC4C(C(C(CO4)O)O)O)OC(=O)C=CC5=CC(=C(C=C5)OC)OC |
Synonymes : MeCM|4-Dimethylcaffeoylmussatioside|122279-91-8|beta-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl, O-beta-D-xylopyranosyl-(1-3)-O-6-deoxy-4-O-(3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-alpha-L-mannopyranosyl-(1-6)-|[(2S,3S,4S,5R,6R)-5-hydroxy-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate|C36H48O18|C36-H48-O18 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.600 |
| Log Po/w (XLOGP3) : -1.020 |
| Log Po/w (WLOGP) : -1.760 |
| Log Po/w (MLOGP) : -3.120 |
| Log Po/w (SILICOS-IT) : -1.150 |
| Consensus Log Po/w : -0.690 |