| Phytochemical Name : Secologanoside |
| PCNDIDS0070 |
| Pubchem CID : 14136854 |
| Molecular formula: C16H22O11 |
| Canonical SMILES : C=CC1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)O)CC(=O)O |
Synonymes : Secologanoside|59472-23-0|HY-N6876|AKOS040760115|AC-34172|MS-26494|CS-0100464|(2S,3R,4S)-4-(carboxymethyl)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.440 |
| Log Po/w (XLOGP3) : -1.880 |
| Log Po/w (WLOGP) : -1.980 |
| Log Po/w (MLOGP) : -2.140 |
| Log Po/w (SILICOS-IT) : -2.310 |
| Consensus Log Po/w : -1.370 |