| Phytochemical Name : 4-Cinnamoylmussatioside |
| PCNDIDOT0835 |
| Pubchem CID : 6124210 |
| Molecular formula: C34H44O16 |
| 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=CC=C5 |
Synonymes : 4-Cinnamoylmussatioside|110219-94-8|[5-hydroxy-2-methyl-6-[[3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl] (E)-3-phenylprop-2-enoate|[(2S,3S,4R,5R,6R)-5-hydroxy-2-methyl-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihyd roxy-6-[2-(4-hydroxyphenyl)et|beta-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl O-beta-D-xylopyranosyl-(1-3)-O-6-deoxy-4-O-(1-oxo-3-phenyl-2-propenyl)-alpha-L-mannopyranosyl-(1-6)-, (E)- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.520 |
| Log Po/w (XLOGP3) : -0.970 |
| Log Po/w (WLOGP) : -1.780 |
| Log Po/w (MLOGP) : -2.570 |
| Log Po/w (SILICOS-IT) : -1.350 |
| Consensus Log Po/w : -0.830 |