| Phytochemical Name : Jaligonic acid |
| PCNDIDJ0003 |
| Pubchem CID : 99610 |
| Molecular formula: C30H46O7 |
| Canonical SMILES : CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)O)C(=O)O |
Synonymes : Jaligonic acid|51776-39-7|NSC 249338|(2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid|C25H39NO4|Jagilonic acid|NSC-249338|SCHEMBL5800055|52356C7BGV|C25-H39-N-O4|(2beta,3beta,4alpha,20 beta)-2,3,23-Trihydroxy-olean-12-ene-28,29-dioic acid|(2beta,3beta,4alpha,20beta)-2,3,23-Trihydroxyolean-12-ene-28,29-dioic acid|Olean-12-ene-28,29-dioic acid, 2,3,23-trihydroxy-, (2beta,3beta,4alpha,20beta)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.660 |
| Log Po/w (XLOGP3) : 4.180 |
| Log Po/w (WLOGP) : 4.240 |
| Log Po/w (MLOGP) : 3.240 |
| Log Po/w (SILICOS-IT) : 3.300 |
| Consensus Log Po/w : 3.520 |