| Phytochemical Name : Alnusiin |
| PCNDIDA0068 |
| Pubchem CID : 5281709 |
| Molecular formula: C41H26O26 |
| Canonical SMILES : C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C7=C6C8=C(C(=C(C=C8C(=O)O7)O)OC9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O |
Synonymes : Alnusiin|78836-99-4|CHEBI:2606|DTXSID701000072|Q4734066|(12R,15R,32S,33R)-4,5,6,14,20,21,22,25,26,27,38,39,45,46-tetradecahydroxy-2,10,13,16,31,34,41-heptaoxanonacyclo[34.9.3.03,8.012,33.015,32.018,23.024,29.040,48.043,47]octatetraconta-1(45),3,5,7,18,20,22,24,26,28,36,38,40(48),43,46-pentadecaene-9,17,30,35,42-pentone |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.280 |
| Log Po/w (XLOGP3) : 1.600 |
| Log Po/w (WLOGP) : 1.760 |
| Log Po/w (MLOGP) : -2.690 |
| Log Po/w (SILICOS-IT) : -1.560 |
| Consensus Log Po/w : -0.120 |