| Phytochemical Name : Cyanidin 3-O-rutinoside |
| PCNDIDC0298 |
| Pubchem CID : 441674 |
| Molecular formula: C27H31O15+ |
| Canonical SMILES : CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O)O |
Synonymes : Cyanidin 3-O-rutinoside|Keracyanin ion|Cyanidin 3-rutinoside|keracyanin cation|Cyanidin-3-rutinoside|UNII-OR49FC491X|OR49FC491X|Cyanidin 3-O-rhamnosylglucoside|28338-59-2|Cyanidin 3-beta-D-O-rutinoside|CHEBI:28064|1-Benzopyrylium, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-|1-Benzopyrylium, 3-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-|Ceracyanin|Oleocyanin|Noctilux|Nyctalux|Sambucine|Keracyanin, INN|SCHEMBL410529|CHEMBL505251|DTXSID401313656|Cyanidin 3-(6''-rhamnosylglucoside)|CYANIDIN 3-.BETA.-D-O-RUTINOSIDE|LS-194245|LS-194569|C08620|Q27103483|1-BENZOPYRYLIUM, 3-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-|2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside|259813-55-3|FLAVYLIUM, 3-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-3',4',5,7-TETRAHYDROXY-|FLAVYLIUM, 3-((6-O-(6-DEOXY-alpha-L-MANNOPYRANOSYL)-beta-D-GLUCOPYRANOSYL)OXY)-3',4',5,7-TETRAHYDROXY- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -2.550 |
| Log Po/w (XLOGP3) : -2.680 |
| Log Po/w (WLOGP) : -0.770 |
| Log Po/w (MLOGP) : -3.080 |
| Log Po/w (SILICOS-IT) : -3.430 |
| Consensus Log Po/w : -2.500 |