| Phytochemical Name : Demissidine |
| PCNDIDD0067 |
| Pubchem CID : 101379 |
| Molecular formula: C27H45NO |
| Canonical SMILES : CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C |
Synonymes : Demissidine|474-08-8|Dihydrosolanidine|Solanin D|5alpha-Solanidan-3beta-ol|Demissidin|Solanidan-3beta-ol|(3-beta,5-alpha)-Solanidan-3-ol|Solanidan-3-ol, (3beta,5alpha)-|EINECS 207-478-1|NSC 409074|(22R,25S)-5alpha-Solanidan-3beta-ol|(22S,25S)-5alpha-Solanidan-3beta-ol|22R,25S-5alpha-Solanidanine-3beta-ol|5-alpha-Solanidan-3-beta-ol|UNII-VG66W0726Y|(22S,25S)-5-alpha-Solanidan-3-beta-ol|5alpha-Solanidan-3beta-ol, (22R,25S)-|Solanine D|(22S,25S)-5-alpha-Solanidanine-3-beta-ol|(3beta,5alpha)-Solanidan-3-ol|VG66W0726Y|Solanidan-3-ol, (3-beta,5-alpha)-|(1S,2R,5S,7S,10S,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosan-7-ol|C27H45NO|NSC-409074|(22R,25S)-5.alpha.-Solanidan-3.beta.-ol|CC12CCC3C(CCC4CC(O)CCC34C)C2CC5N6CC(C)CCC6C(C)C15|SCHEMBL2683829|CHEMBL2165408|CHEBI:166814|DTXSID801318127|LMST01150001|MFCD00200961|AKOS040761609|CCG-208467|LS-145580|LS-145581|SR-05000002229|SR-05000002229-2|Q27291814 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.720 |
| Log Po/w (XLOGP3) : 3.910 |
| Log Po/w (WLOGP) : 2.750 |
| Log Po/w (MLOGP) : 2.700 |
| Log Po/w (SILICOS-IT) : 2.510 |
| Consensus Log Po/w : 2.920 |