| Phytochemical Name : CID 12300053 |
| PCNDIDC0140 |
| Pubchem CID : 12300053 |
| Molecular formula: C37H40N2O6 |
| Canonical SMILES : CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC |
Synonymes : (1R,14S)-20,21,25-Trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-9-ol|478-61-5 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.920 |
| Log Po/w (XLOGP3) : 6.340 |
| Log Po/w (WLOGP) : 5.450 |
| Log Po/w (MLOGP) : 3.550 |
| Log Po/w (SILICOS-IT) : 5.500 |
| Consensus Log Po/w : 5.150 |