| Phytochemical Name : Neoruscogenin |
| PCNDIDN0042 |
| Pubchem CID : 9910474 |
| Molecular formula: C27H40O4 |
| Canonical SMILES : CC1C2C(CC3C2(CCC4C3CC=C5C4(C(CC(C5)O)O)C)C)OC16CCC(=C)CO6 |
Synonymes : Neoruscogenin|17676-33-4|25(27)-Dehydroruscogenin|delta5-Convallamarogenin|D4E4KC2TUK|Spirosta-5,25(27)-diene-1beta,3beta-diol|EINECS 241-660-1|Spirosta-5,25(27)-diene-1,3-diol, (1b,3b)-|Spirosta-5,25(27)-diene-1,3-diol, (1beta,3beta)-|Spirosta-5,25(27)-dien-1beta,3beta-diol|(1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16R)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14,16-diol|Spirosta-5,25(27)-diene-1,3-diol, (1.beta.,3.beta.)-|UNII-D4E4KC2TUK|NEORUSCOGENIN [INCI]|HY-N2253|LMST01080048|MFCD00210534|s2654|AC-34907|MS-27595|CS-0019582 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.720 |
| Log Po/w (XLOGP3) : 4.070 |
| Log Po/w (WLOGP) : 4.600 |
| Log Po/w (MLOGP) : 3.980 |
| Log Po/w (SILICOS-IT) : 3.660 |
| Consensus Log Po/w : 4.010 |