| Phytochemical Name : Malvin |
| PCNDIDM0022 |
| Pubchem CID : 441765 |
| Molecular formula: C29H35O17+ |
| Canonical SMILES : COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O |
Synonymes : MALVIN|Malvidin-3,5-diglucoside|CHEBI:75030|C08718|Malvoside|16727-30-3|AC1L9BMG|Malvidin 3,5-O-diglucoside|SCHEMBL6139200|DTXSID201341471|(2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol|Q137532|(2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromenylium-5-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol|3,5-Bis(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium|3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenium-5-yl beta-D-glucopyranoside |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -2.080 |
| Log Po/w (XLOGP3) : -2.540 |
| Log Po/w (WLOGP) : -1.830 |
| Log Po/w (MLOGP) : -3.880 |
| Log Po/w (SILICOS-IT) : -3.380 |
| Consensus Log Po/w : -2.740 |