1.0 2010-04-08 22:12:25 UTC 2025-11-19 01:46:47 UTC FDB016399 Quercetin 3-(2-galloylglucoside) Isolated from Polygonum subspecies and Diospyros kaki (Japanese persimmon). Quercetin 3-(2-galloylglucoside) is found in japanese persimmon and fruits. Quercetin 3-(2''-galloylglucoside) C28H24O16 616.4806 616.10643472 2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate 2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate 69624-79-9 OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2 PXGWEUQZDRUMRE-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Flavonoid-3-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Benzoyl derivatives Carboxylic acid esters Catechols Chromones Flavones Galloyl esters Heteroaromatic compounds Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyranones and derivatives Pyrogallols and derivatives Secondary alcohols Vinylogous acids m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzopyran Benzoyl Carboxylic acid derivative Carboxylic acid ester Catechol Chromone Flavone Flavonoid-3-o-glycoside Gallic acid or derivatives Galloyl ester Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid M-hydroxybenzoic acid ester Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Polyol Primary alcohol Pyran Pyranone Pyrogallol derivative Secondary alcohol Vinylogous acid logp 1.88 ALOGPS logs -2.81 ALOGPS solubility 9.48e-01 g/l ALOGPS melting_point Mp 208-210° logp 1.44 ChemAxon pka_strongest_acidic 6.42 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate ChemAxon average_mass 616.4806 ChemAxon mono_mass 616.10643472 ChemAxon smiles OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O ChemAxon formula C28H24O16 ChemAxon inchi InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2 ChemAxon inchikey PXGWEUQZDRUMRE-UHFFFAOYSA-N ChemAxon polar_surface_area 273.36 ChemAxon refractivity 145.04 ChemAxon polarizability 57.74 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 15 ChemAxon donor_count 10 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 96825 Specdb::MsMs 96826 Specdb::MsMs 96827 Specdb::MsMs 161406 Specdb::MsMs 161407 Specdb::MsMs 161408 Specdb::MsMs 2430436 Specdb::MsMs 2430437 Specdb::MsMs 2430438 Specdb::MsMs 2508817 Specdb::MsMs 2508818 Specdb::MsMs 2508819 Specdb::CMs 20756 Specdb::CMs 45348 Specdb::CMs 539987 Specdb::CMs 539988 Specdb::CMs 539989 Specdb::CMs 539990 Specdb::CMs 539991 Specdb::CMs 539992 Specdb::CMs 539993 Specdb::CMs 539994 Specdb::CMs 539995 Specdb::CMs 539996 Specdb::CMs 539997 Specdb::CMs 539998 Specdb::CMs 539999 Specdb::CMs 540000 Specdb::CMs 540001 Specdb::CMs 540002 Specdb::CMs 540003 Specdb::CMs 540004 Specdb::CMs 540005 Specdb::CMs 540006 Specdb::CMs 540007 Specdb::CMs 540008 Specdb::CMs 540009 HMDB37367 #<Reference:0x000055ce2f742108> Fruits Unknown generic Japanese persimmon Type 1 specific Diospyros kaki 35925