| Phytochemical Name : Himbosine |
| PCNDIDH0037 |
| Pubchem CID : 101297608 |
| Molecular formula: C35H41NO10 |
| Canonical SMILES : CC1CCC2C3N1C45C6CCC(C(C6C(C(=C4C2(CC5C3)OC(=O)C)C(=O)OC)OC(=O)C)OC(=O)C7=CC=CC=C7)OC(=O)C |
Synonymes : Himbosine|15448-14-3|13alpha,16alpha,20-Triacetoxy-14alpha-benzoyloxyhimbosan-18-oic acid methyl ester|methyl (1S,3R,6S,7S,9R,11S,14R,15S,16S,17R,20S)-11,14,17-triacetyloxy-16-benzoyloxy-3-methyl-2-azahexacyclo[10.8.0.01,9.02,7.06,11.015,20]icos-12-ene-13-carboxylate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.790 |
| Log Po/w (XLOGP3) : 3.050 |
| Log Po/w (WLOGP) : 3.150 |
| Log Po/w (MLOGP) : 3.290 |
| Log Po/w (SILICOS-IT) : 2.940 |
| Consensus Log Po/w : 3.440 |