1.0 2010-04-08 22:14:48 UTC 2025-11-19 02:28:08 UTC FDB020104 Pelargonidin 3-O-[b-D-Glucopyranosyl-(1->2)-[3,4-dihydroxycinnamoyl-(->6)]-b-D-glucopyranoside] 5-O-b-D-glucopyranoside Pelargonidin 3-o-[b-d-glucopyranosyl-(1->2)-[3,4-dihydroxycinnamoyl-(->6)]-b-d-glucopyranoside] 5-o-b-d-glucopyranoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Pelargonidin 3-o-[b-d-glucopyranosyl-(1->2)-[3,4-dihydroxycinnamoyl-(->6)]-b-d-glucopyranoside] 5-o-b-d-glucopyranoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pelargonidin 3-o-[b-d-glucopyranosyl-(1->2)-[3,4-dihydroxycinnamoyl-(->6)]-b-d-glucopyranoside] 5-o-b-d-glucopyranoside can be found in radish, which makes pelargonidin 3-o-[b-d-glucopyranosyl-(1->2)-[3,4-dihydroxycinnamoyl-(->6)]-b-d-glucopyranoside] 5-o-b-d-glucopyranoside a potential biomarker for the consumption of this food product. 3,4',5,7-Tetrahydroxyflavylium(1+), 8CI; 3-O-[b-D-Glucopyranosyl-(1->2)-[3,4-dihydroxycinnamoyl-(->6)]-b-D-glucopyranoside], 5-O-b-D-glucopyranoside Pelargonidin 3-(6''-caffeylsophoroside)-5-glucoside Pelargonidin 3-O-(6-O-(trans-caffeyl)-2-O-(beta-D-glucopyranosyl)-beta-D-glucopyranoside)-5-O-(beta-D-glucopyranoside) C42H47O23 919.8088 919.25081281 3-{[6-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium 3-{[6-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium 140614-88-6 OCC1OC(OC2C(O)C(O)C(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)OC2OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C42H46O23/c43-13-26-30(50)33(53)36(56)40(62-26)60-24-11-19(46)10-23-20(24)12-25(38(59-23)17-3-5-18(45)6-4-17)61-42-39(65-41-37(57)34(54)31(51)27(14-44)63-41)35(55)32(52)28(64-42)15-58-29(49)8-2-16-1-7-21(47)22(48)9-16/h1-12,26-28,30-37,39-44,50-57H,13-15H2,(H3-,45,46,47,48,49)/p+1 VYJJDFOUGLIVBC-UHFFFAOYSA-O belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Carboximidic acids Catechols Cinnamic acids Coumaric acids and derivatives Disaccharides Hydrocarbon derivatives Hydroxycinnamic acids Monocarboxylic acids and derivatives O-glycosyl compounds Organic cations Organic oxides Oxacyclic compounds Oxanes P-quinomethanes Polyols Primary alcohols Secondary alcohols Styrenes 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboximidic acid Carboxylic acid derivative Catechol Cinnamic acid Cinnamic acid or derivatives Coumaric acid or derivatives Cyclic ketone Disaccharide Hydrocarbon derivative Hydroxycinnamic acid Hydroxycinnamic acid or derivatives Ketone Monocarboxylic acid or derivatives Monocyclic benzene moiety O-glycosyl compound Organic cation Organic oxide Organoheterocyclic compound Oxacycle Oxane P-quinomethane Phenol Phenolic glycoside Polyol Primary alcohol Quinomethane Secondary alcohol Styrene logp 1.16 ALOGPS logs -3.10 ALOGPS solubility 7.51e-01 g/l ALOGPS logp -0.98 ChemAxon pka_strongest_acidic 6.66 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-{[6-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium ChemAxon average_mass 919.8088 ChemAxon mono_mass 919.25081281 ChemAxon smiles OCC1OC(OC2C(O)C(O)C(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)OC2OC2=CC3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C42H47O23 ChemAxon inchi InChI=1S/C42H46O23/c43-13-26-30(50)33(53)36(56)40(62-26)60-24-11-19(46)10-23-20(24)12-25(38(59-23)17-3-5-18(45)6-4-17)61-42-39(65-41-37(57)34(54)31(51)27(14-44)63-41)35(55)32(52)28(64-42)15-58-29(49)8-2-16-1-7-21(47)22(48)9-16/h1-12,26-28,30-37,39-44,50-57H,13-15H2,(H3-,45,46,47,48,49)/p+1 ChemAxon inchikey VYJJDFOUGLIVBC-UHFFFAOYSA-O ChemAxon polar_surface_area 378.04 ChemAxon refractivity 222.36 ChemAxon polarizability 88.84 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 21 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::MsMs 1259206 Specdb::MsMs 1259207 Specdb::MsMs 1259208 Radish Type 1 specific Raphanus sativus 3726