| Phytochemical Name : Heterodendrin |
| PCNDIDH0019 |
| Pubchem CID : 181804 |
| Molecular formula: C11H19NO6 |
| Canonical SMILES : CC(C)C(C#N)OC1C(C(C(C(O1)CO)O)O)O |
Synonymes : Heterodendrin|66465-22-3|C08332|(2S)-3-methyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile|AC1L49PH|CHEBI:5687|DTXSID701317619|Q27106861|(2S)-3-methyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butanenitrile |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.070 |
| Log Po/w (XLOGP3) : -1.490 |
| Log Po/w (WLOGP) : -1.650 |
| Log Po/w (MLOGP) : -2.100 |
| Log Po/w (SILICOS-IT) : -1.230 |
| Consensus Log Po/w : -1.080 |