| Phytochemical Name : Smilagenin |
| PCNDIDS0123 |
| Pubchem CID : 91439 |
| Molecular formula: C27H44O3 |
| Canonical SMILES : CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1 |
Synonymes : Smilagenin|126-18-1|Isosarsapogenin|(25R)-5beta-Spirostan-3beta-ol|Isosarsasapogenin|Esmilagenin|Cogane|Smilagenin [INN]|(25R)-Spirostan-3beta-ol|Spirostan-3-ol, (3beta,5beta,25R)-|GQE3Q7YMVZ|UNII-GQE3Q7YMVZ|PYM50028|EINECS 204-775-8|NSC 93747|NSC-93747|PYM 50028|AI3-44895|(25R)-Spirostan-3.beta.-ol|5.beta.-Spirostan-3.beta.-ol, (25R)-|SMILAGENIN [MI]|(25R)-5-spirostan-3-ol|SCHEMBL180194|(25R)-Spirostan-3-beta-ol|CHEMBL4465923|CHEBI:28933|DTXSID301026551|Spirostan-3-ol,5.beta.,25R)-|NSC93747|LMST01080005|(3beta,5beta,25R)-spirostan-3-ol|5beta -Spirostan-3beta (25R)--ol|5beta-Spirostan-3beta-ol, (25R)-|AKOS040758636|DB05450|SMP1_000275|MS-27265|HY-106353|5beta-Spirostan-3beta-ol, (25R)- (8CI)|CS-0025639|(25R)-5.BETA.-SPIROSTAN-3.BETA.-OL|C08913|F82136|Spirostan-3-ol, (3beta,5beta,25R)- (9CI)|(3.BETA.,5.BETA.,25R)-SPIROSTAN-3-OL|Q27103971|(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.420 |
| Log Po/w (XLOGP3) : 6.490 |
| Log Po/w (WLOGP) : 5.790 |
| Log Po/w (MLOGP) : 5.080 |
| Log Po/w (SILICOS-IT) : 4.300 |
| Consensus Log Po/w : 5.220 |