| Phytochemical Name : Gitogenin |
| PCNDIDG0091 |
| Pubchem CID : 441887 |
| Molecular formula: C27H44O4 |
| Canonical SMILES : CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)O)O)C)C)C)OC1 |
Synonymes : Gitogenin|511-96-6|Digin|(25R)-5alpha-Spirostan-2alpha,3beta-diol|(2a,3b,5a,25R)-Spirostan-2,3-diol|Spirostan-2,3-diol, (2a,3b,5a,25R)-|UNII-60ZMY8IH51|60ZMY8IH51|CHEBI:5363|NSC 147752|AI3-62266|Spirostan-2,3-diol, (2alpha,3beta,5alpha,25R)-|Digine|NSC-147752|GITOGENIN [MI]|CHEMBL1770687|SCHEMBL23524443|2.ALPHA.-HYDROXYTIGOGENIN|DTXSID101023656|(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16-diol|HY-N2574|LMST01080010|MFCD00273328|AC-35113|MS-27723|5alpha,22alpha-Spirostane-2alpha,3beta-diol|CS-0022911|(25r,s)-5alpha-spirostane-2alpha,3beta-diol|5alpha-Spirostan-2alpha,3beta-diol, (25R)-|C08899|(2alpha,3|A,5alpha,25R)-Spirostan-2,3-diol|A927966|Q5880476|(2-alpha,3-beta,5-alpha,25R)-Spirostan-2,3-diol|5.ALPHA.,25D-SPIROSTAN-2.ALPHA.,3.BETA.-DIOL|CC1C2C(CC3C4CCC5CC(O)C(O)CC5(C)C4CCC23C)OC16CCC(C)CO6 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.240 |
| Log Po/w (XLOGP3) : 5.520 |
| Log Po/w (WLOGP) : 4.760 |
| Log Po/w (MLOGP) : 4.230 |
| Log Po/w (SILICOS-IT) : 3.400 |
| Consensus Log Po/w : 4.430 |