| Phytochemical Name : Decuroside III |
| PCNDIDD0022 |
| Pubchem CID : 442125 |
| Molecular formula: C26H34O14 |
| Canonical SMILES : CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O |
Synonymes : Decuroside III|96638-81-2|C09257|(2R)-2-[2-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one|AC1L9CAE|CHEBI:4352|DTXSID80331743|Q27106346|(2R)-2-[1-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-1-methyl-ethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.130 |
| Log Po/w (XLOGP3) : 1.370 |
| Log Po/w (WLOGP) : 1.160 |
| Log Po/w (MLOGP) : 0.860 |
| Log Po/w (SILICOS-IT) : 2.450 |
| Consensus Log Po/w : 1.790 |