| Phytochemical Name : Thevetin |
| PCNDIDT0053 |
| Pubchem CID : 159331 |
| Molecular formula: C42H66O18 |
| Canonical SMILES : CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O |
Synonymes : Thevetin|Thevetine|11018-93-2|EINECS 234-249-3|3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-3-[(2S,3R,4R,5R,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one|Gd-P|LZA2QYU7PA|UNII-LZA2QYU7PA|LS-149695 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.740 |
| Log Po/w (XLOGP3) : -1.640 |
| Log Po/w (WLOGP) : -1.240 |
| Log Po/w (MLOGP) : -2.380 |
| Log Po/w (SILICOS-IT) : -1.750 |
| Consensus Log Po/w : -0.650 |