| Phytochemical Name : (2R,5R)-2-[[(1R,2R,4R,5R,6S,10R)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| PCNDIDOT0130 |
| Pubchem CID : 133611792 |
| Molecular formula: C15H22O10 |
| Canonical SMILES : C1=COC(C2C1C(C3C2(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O |
Synonymes : Catalpol|2415-24-9 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.370 |
| Log Po/w (XLOGP3) : -3.220 |
| Log Po/w (WLOGP) : -3.590 |
| Log Po/w (MLOGP) : -2.960 |
| Log Po/w (SILICOS-IT) : -2.910 |
| Consensus Log Po/w : -2.260 |