| Phytochemical Name : Regaloside B |
| PCNDIDR0003 |
| Pubchem CID : 5459143 |
| Molecular formula: C20H26O11 |
| Canonical SMILES : CC(=O)OCC(COC(=O)C=CC1=CC=C(C=C1)O)OC2C(C(C(C(O2)CO)O)O)O |
Synonymes : Regaloside B|114420-67-6|NSC627041|[(2S)-3-acetyloxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate|DTXSID20420049|NSC-627041|D85206 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.410 |
| Log Po/w (XLOGP3) : -0.480 |
| Log Po/w (WLOGP) : -1.410 |
| Log Po/w (MLOGP) : -1.510 |
| Log Po/w (SILICOS-IT) : -0.230 |
| Consensus Log Po/w : -0.240 |