1.0 2010-04-08 22:15:26 UTC 2025-11-19 02:35:19 UTC FDB021061 Pelargonidin 5-galactoside Isolated from matara tea (Cassia auriculata). Pelargonidin 5-galactoside is found in beverages. Pelargonidin 5-galactoside C21H21O10 433.3854 433.113471892 3,7-dihydroxy-2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium 3,7-dihydroxy-2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium 157526-28-8 OCC1OC(OC2=CC(O)=CC3=C2C=C(O)C(=[O+]3)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-6-11(24)5-14-12(15)7-13(25)20(29-14)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1 AFRWRFLTMADQHJ-UHFFFAOYSA-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 3-hydroxyflavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids Acetals Anthocyanidins Benzene and substituted derivatives Heteroaromatic compounds Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic cations Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 3-hydroxyflavonoid 4'-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Anthocyanidin Anthocyanidin-5-o-glycoside Aromatic heteropolycyclic compound Benzenoid Benzopyran Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic cation Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Secondary alcohol logp 1.04 ALOGPS logs -2.98 ALOGPS solubility 4.91e-01 g/l ALOGPS logp 0.67 ChemAxon pka_strongest_acidic 6.05 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3,7-dihydroxy-2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium ChemAxon average_mass 433.3854 ChemAxon mono_mass 433.113471892 ChemAxon smiles OCC1OC(OC2=CC(O)=CC3=C2C=C(O)C(=[O+]3)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C21H21O10 ChemAxon inchi InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-6-11(24)5-14-12(15)7-13(25)20(29-14)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1 ChemAxon inchikey AFRWRFLTMADQHJ-UHFFFAOYSA-O ChemAxon polar_surface_area 173.21 ChemAxon refractivity 114.28 ChemAxon polarizability 42.54 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 19274 Specdb::CMs 47153 Specdb::CMs 133827 Specdb::CMs 141561 Specdb::MsMs 308815 Specdb::MsMs 308816 Specdb::MsMs 308817 Specdb::MsMs 2921923 Specdb::MsMs 2921924 Specdb::MsMs 2921925 HMDB41170 #<Reference:0x000055ce3246f978> Beverages Unknown generic