1.0 2010-04-08 22:11:06 UTC 2025-11-19 00:44:05 UTC FDB014135 Pelargonidin 3-O-[b-D-Glucopyranosyl-(1->2)-[4-hydroxy-3-methoxy-(E)-cinnamoyl-(->6)]-b-D-glucopyranoside] 5-O-b-D-glucopyranoside Constituent of radish (Raphanus sativus). Pelargonidin 3-O-[b-D-Glucopyranosyl-(1->2)-[4-hydroxy-3-methoxy-(E)-cinnamoyl-(->6)]-b-D-glucopyranoside] 5-O-b-D-glucopyranoside is found in brassicas and radish. 3-O-[b-D-Glucopyranosyl-(1->2)-[4-hydroxy-3-methoxycinnamoyl-(->6)]-b-D-glucopyranoside](e-), 5-O-b-D-glucopyranoside 3,4',5,7-Tetrahydroxyflavylium(1+), 8CI; 3-O-[b-D-Glucopyranosyl-(1->2)-[4-hydroxy-3-methoxycinnamoyl-(->6)]-b-D-glucopyranoside](E-), 5-O-b-D-glucopyranoside Pelargonidin 3-(6-ferulyl-2-glucosylglucoside)-5-glucoside Pelargonidin 3-O-[6-O-(E)-feruloyl-2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside) C43H49O23 933.8354 933.266462874 3-{[4,5-dihydroxy-6-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)-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-{[4,5-dihydroxy-6-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)-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 185027-87-6 COC1=CC(\C=C\C(=O)OCC2OC(OC3=CC4=C(OC5OC(CO)C(O)C(O)C5O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)=CC=C1O InChI=1S/C43H48O23/c1-58-25-10-17(2-8-22(25)48)3-9-30(49)59-16-29-33(52)36(55)40(66-42-38(57)35(54)32(51)28(15-45)64-42)43(65-29)62-26-13-21-23(60-39(26)18-4-6-19(46)7-5-18)11-20(47)12-24(21)61-41-37(56)34(53)31(50)27(14-44)63-41/h2-13,27-29,31-38,40-45,50-57H,14-16H2,1H3,(H2-,46,47,48,49)/p+1 IBQMSPNJNBDIEA-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 Acetals Alkyl aryl ethers Anisoles Carboximidic acids Cinnamic acids Coumaric acids and derivatives Disaccharides Hydrocarbon derivatives Hydroxycinnamic acids Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives O-glycosyl compounds Organic cations Organic oxides Oxacyclic compounds Oxanes P-quinomethanes Phenoxy compounds Polyols Primary alcohols Secondary alcohols Styrenes 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboximidic acid Carboxylic acid derivative Cinnamic acid Cinnamic acid or derivatives Coumaric acid or derivatives Cyclic ketone Disaccharide Ether Hydrocarbon derivative Hydroxycinnamic acid Hydroxycinnamic acid or derivatives Ketone Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety O-glycosyl compound Organic cation Organic oxide Organoheterocyclic compound Oxacycle Oxane P-quinomethane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Quinomethane Secondary alcohol Styrene logp 1.22 ALOGPS logs -3.31 ALOGPS solubility 4.80e-01 g/l ALOGPS logp -0.95 ChemAxon pka_strongest_acidic 6.66 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-{[4,5-dihydroxy-6-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)-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 933.8354 ChemAxon mono_mass 933.266462874 ChemAxon smiles COC1=CC(\C=C\C(=O)OCC2OC(OC3=CC4=C(OC5OC(CO)C(O)C(O)C5O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)=CC=C1O ChemAxon formula C43H49O23 ChemAxon inchi InChI=1S/C43H48O23/c1-58-25-10-17(2-8-22(25)48)3-9-30(49)59-16-29-33(52)36(55)40(66-42-38(57)35(54)32(51)28(15-45)64-42)43(65-29)62-26-13-21-23(60-39(26)18-4-6-19(46)7-5-18)11-20(47)12-24(21)61-41-37(56)34(53)31(50)27(14-44)63-41/h2-13,27-29,31-38,40-45,50-57H,14-16H2,1H3,(H2-,46,47,48,49)/p+1 ChemAxon inchikey IBQMSPNJNBDIEA-UHFFFAOYSA-O ChemAxon polar_surface_area 367.04 ChemAxon refractivity 226.85 ChemAxon polarizability 90.67 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 21 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::MsMs 54165 Specdb::MsMs 54166 Specdb::MsMs 54167 Specdb::MsMs 175119 Specdb::MsMs 175120 Specdb::MsMs 175121 Specdb::MsMs 2506364 Specdb::MsMs 2506365 Specdb::MsMs 2506366 Specdb::NmrOneD 131598 Specdb::NmrOneD 131599 Specdb::NmrOneD 131600 Specdb::NmrOneD 131601 Specdb::NmrOneD 131602 Specdb::NmrOneD 131603 Specdb::NmrOneD 131604 Specdb::NmrOneD 131605 Specdb::NmrOneD 131606 Specdb::NmrOneD 131607 Specdb::NmrOneD 131608 Specdb::NmrOneD 131609 Specdb::NmrOneD 131610 Specdb::NmrOneD 131611 Specdb::NmrOneD 131612 Specdb::NmrOneD 131613 Specdb::NmrOneD 131614 Specdb::NmrOneD 131615 Specdb::NmrOneD 131616 Specdb::NmrOneD 131617 HMDB35451 #<Reference:0x000055ce306283e8> Brassicas Unknown generic 3705 Radish Type 1 specific Raphanus sativus 3726