| Phytochemical Name : Chlorogenin |
| PCNDIDC0114 |
| Pubchem CID : 12303065 |
| Molecular formula: C27H44O4 |
| Canonical SMILES : CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CCC(C6)O)C)O)C)C)OC1 |
Synonymes : Chlorogenin|562-34-5|UNII-K8Z178V1DG|K8Z178V1DG|5alpha-Spirostan-3beta,6alpha-diol, (25R)-|(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16,19-diol|F-Chlorogenin|CHLOROGENIN [MI]|SCHEMBL330411|CHEMBL2047364|DTXSID30903919|CHEBI:188325|(25r)-5a-spirostane-3b,6a-diol|AKOS040763844|CS-0530796|(3-beta,5-alpha,6-alpha,25R)-Spirostan-3,6-diol|Q27282108|(25R)-5.ALPHA.-SPIROSTAN-3.BETA.,6.ALPHA.-DIOL|SPIROSTAN-3,6-DIOL, (3.BETA.,5.ALPHA.,6.ALPHA.,25R)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.140 |
| Log Po/w (XLOGP3) : 5.150 |
| Log Po/w (WLOGP) : 4.760 |
| Log Po/w (MLOGP) : 4.230 |
| Log Po/w (SILICOS-IT) : 3.400 |
| Consensus Log Po/w : 4.340 |