1.0 2012-01-13 17:26:16 UTC 2025-11-19 02:59:33 UTC FDB029882 Cyanidin 3-diglucoside 5-glucoside A polyphenol metabolite detected in biological fluids [PhenolExplorer] Cyanidin 3-diglucoside-5-glucoside Cyanidin 3-O-diglucoside-5-O-glucoside C33H41O21 773.666 773.214033374 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C33H40O21/c34-7-18-21(39)24(42)27(45)31(52-18)48-9-20-23(41)26(44)29(47)33(54-20)51-17-6-12-15(49-30(17)10-1-2-13(37)14(38)3-10)4-11(36)5-16(12)50-32-28(46)25(43)22(40)19(8-35)53-32/h1-6,18-29,31-35,39-47H,7-9H2,(H2-,36,37,38)/p+1/t18-,19-,20-,21-,22-,23-,24+,25+,26+,27-,28-,29-,31-,32-,33-/m1/s1 KVPLVCKTEICQDV-PQFOCHFESA-O belongs to the class of organic compounds known as anthocyanidin-5-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position. Anthocyanidin-5-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids Acetals Anthocyanidin-3-O-glycosides Anthocyanidins Benzene and substituted derivatives Catechols Disaccharides Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Organic cations Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Anthocyanidin Anthocyanidin-3-o-glycoside Anthocyanidin-5-o-glycoside Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Disaccharide Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety O-glycosyl compound Organic cation Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Secondary alcohol logp -0.68 ALOGPS logs -2.29 ALOGPS solubility 4.14e+00 g/l ALOGPS logp -4.4 ChemAxon pka_strongest_acidic 6.65 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium ChemAxon average_mass 773.666 ChemAxon mono_mass 773.214033374 ChemAxon smiles OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ChemAxon formula C33H41O21 ChemAxon inchi InChI=1S/C33H40O21/c34-7-18-21(39)24(42)27(45)31(52-18)48-9-20-23(41)26(44)29(47)33(54-20)51-17-6-12-15(49-30(17)10-1-2-13(37)14(38)3-10)4-11(36)5-16(12)50-32-28(46)25(43)22(40)19(8-35)53-32/h1-6,18-29,31-35,39-47H,7-9H2,(H2-,36,37,38)/p+1/t18-,19-,20-,21-,22-,23-,24+,25+,26+,27-,28-,29-,31-,32-,33-/m1/s1 ChemAxon inchikey KVPLVCKTEICQDV-PQFOCHFESA-O ChemAxon polar_surface_area 351.74 ChemAxon refractivity 180.82 ChemAxon polarizability 73.05 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 20 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 784187 Specdb::CMs 784188 Specdb::CMs 784189 Specdb::CMs 784190 Specdb::CMs 784191 Specdb::CMs 784192 Specdb::CMs 784193 Specdb::CMs 784194 Specdb::CMs 784195 Specdb::CMs 784196 Specdb::CMs 784197 Specdb::CMs 784198 Specdb::CMs 784199 Specdb::CMs 784200 Specdb::CMs 784201 Specdb::CMs 784202 Specdb::CMs 784203 Specdb::CMs 784204 Specdb::CMs 784205 Specdb::CMs 784206 Specdb::CMs 784207 Specdb::CMs 784208 Specdb::CMs 784209 Specdb::CMs 784210 Specdb::CMs 784211 Specdb::MsMs 290149 Specdb::MsMs 290150 Specdb::MsMs 290151 Specdb::MsMs 2625743 Specdb::MsMs 2625744 Specdb::MsMs 2625745 Specdb::NmrOneD 49182 Specdb::NmrOneD 49183 Specdb::NmrOneD 49184 Specdb::NmrOneD 49185 Specdb::NmrOneD 49186 Specdb::NmrOneD 49187 Specdb::NmrOneD 49188 Specdb::NmrOneD 49189 Specdb::NmrOneD 49190 Specdb::NmrOneD 49191 Specdb::NmrOneD 49192 Specdb::NmrOneD 49193 Specdb::NmrOneD 49194 Specdb::NmrOneD 49195 Specdb::NmrOneD 49196 Specdb::NmrOneD 49197 Specdb::NmrOneD 49198 Specdb::NmrOneD 49199 Specdb::NmrOneD 49200 Specdb::NmrOneD 49201 HMDB41716 #<Reference:0x000055ce2ed48328>