| Phytochemical Name : (2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| PCNDIDOT0142 |
| Pubchem CID : 5484292 |
| Molecular formula: C23H25O12+ |
| Canonical SMILES : COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O |
Synonymes : malvidin-3-galactoside|Malvidin-3-O-beta-D-galactoside|CHEBI:177071|(2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol|Q63398825|2-(3,5-Dimethoxy-4-hydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-1-benzopyrylium |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -1.730 |
| Log Po/w (XLOGP3) : 0.430 |
| Log Po/w (WLOGP) : 0.690 |
| Log Po/w (MLOGP) : -1.820 |
| Log Po/w (SILICOS-IT) : -1.290 |
| Consensus Log Po/w : -0.740 |