| Phytochemical Name : Martynoside |
| PCNDIDM0026 |
| Pubchem CID : 5319292 |
| Molecular formula: C31H40O15 |
| Canonical SMILES : CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)OC)CO)OCCC4=CC(=C(C=C4)OC)O)O)O)O)O |
Synonymes : Martynoside|67884-12-2|NSC 729643|[(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate|CHEMBL503531|SCHEMBL2158040|DTXSID70415748|HY-N3316|NSC729643|AKOS032948458|NSC-729643|MS-30970|XM178229|CS-0023884|E87106|3-Hydroxy-4-methoxyphenethyl 4-O-[3-(4-hydroxy-3-methoxyphenyl)propenoyl]-3-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranoside |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.420 |
| Log Po/w (XLOGP3) : 0.150 |
| Log Po/w (WLOGP) : -0.520 |
| Log Po/w (MLOGP) : -1.990 |
| Log Po/w (SILICOS-IT) : -0.020 |
| Consensus Log Po/w : 0.210 |