| Phytochemical Name : Borjatriol |
| PCNDIDB0128 |
| Pubchem CID : 162690 |
| Molecular formula: C20H36O4 |
| Canonical SMILES : CC1(CCCC2(C1CC(C3(C2CCC(O3)(C)C(CO)O)C)O)C)C |
Synonymes : Borjatriol|52591-03-4|7,14,15,-Trihydroxy-13-epoxylabdane|SCHEMBL2996190|CHEMBL3391874|DTXSID60967024|7,14,15,-trihydroxy-13-epoxy-labdane|1,2-Ethanediol, 1-(dodecahydro-5-hydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho(2,1-b)pyran-3-yl)-, (3R-(3alpha(R*),4abeta,5beta,6aalpha,10abeta,10balpha))-|1-(5-Hydroxy-3,4a,7,7,10a-pentamethyldodecahydro-1H-naphtho[2,1-b]pyran-3-yl)ethane-1,2-diol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.730 |
| Log Po/w (XLOGP3) : 3.030 |
| Log Po/w (WLOGP) : 2.880 |
| Log Po/w (MLOGP) : 2.340 |
| Log Po/w (SILICOS-IT) : 3.100 |
| Consensus Log Po/w : 2.820 |