| Phytochemical Name : 5-Hydroxy-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzyl 3-hydroxy-2,6-dimethoxybenzoate |
| PCNDIDOT0948 |
| Pubchem CID : 11503965 |
| Molecular formula: C22H26O12 |
| Canonical SMILES : COC1=C(C(=C(C=C1)O)OC)C(=O)OCC2=C(C=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O |
Synonymes : 5-Hydroxy-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzyl 3-hydroxy-2,6-dimethoxybenzoate|HY-N9095|AKOS040761548|CS-0158689 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.930 |
| Log Po/w (XLOGP3) : 0.340 |
| Log Po/w (WLOGP) : -0.500 |
| Log Po/w (MLOGP) : -1.370 |
| Log Po/w (SILICOS-IT) : -0.080 |
| Consensus Log Po/w : 0.060 |