| Phytochemical Name : Petunidin 3-glucoside |
| PCNDIDP0059 |
| Pubchem CID : 443651 |
| Molecular formula: C22H23O12+ |
| Canonical SMILES : COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O |
Synonymes : Petunidin 3-glucoside|Petunidin 3-O-glucoside|71991-88-3|CHEBI:31985|Petunidin 3-O-beta-D-glucopyranoside|(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol|petunidin-3-monoglucoside|petunidin-3-O-beta-D-glucoside|CHEMBL1784264|DTXSID40990158|petunidin-3-O-beta-D-glucopyranoside|E88956|Q7179425|2-(3,4-Dihydroxy-5-methoxyphenyl)-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxychromenylium|2-(3,4-Dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-1-benzopyran-1-ium-3-yl hexopyranoside|2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenium-3-yl beta-D-glucopyranoside|2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1$l^{4}-chromen-1-ylium |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : -5.790 |
| Log Po/w (XLOGP3) : 0.110 |
| Log Po/w (WLOGP) : 0.390 |
| Log Po/w (MLOGP) : -2.030 |
| Log Po/w (SILICOS-IT) : -1.840 |
| Consensus Log Po/w : -1.830 |