1.0 2010-04-08 22:12:50 UTC 2025-11-19 01:51:57 UTC FDB017087 Quercetin 3-xyloside Quercetin 3-xyloside is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Quercetin 3-xyloside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Quercetin 3-xyloside can be found in a number of food items such as apple, summer grape, pear, and common grape, which makes quercetin 3-xyloside a potential biomarker for the consumption of these food products. Quercetin 3-O-beta-D-xylopyranoside Quercetin 3-O-xyloside Quercetin 3-xyloside Reinutrin Reynoutrin C20H18O11 434.3503 434.084911418 3-{[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one 3-{[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one 549-32-6 OC[C@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@H]1O InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15+,17-,20+/m1/s1 BDCDNTVZSILEOY-WNJKXWAASA-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 Benzene and substituted derivatives Catechols Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Pentoses Primary alcohols Pyranones and derivatives Secondary alcohols Tetrahydrofurans Vinylogous acids 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 Benzenoid Benzopyran Catechol Chromone Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pentose monosaccharide Phenol Primary alcohol Pyran Pyranone Secondary alcohol Tetrahydrofuran Vinylogous acid logp 0.76 ALOGPS logs -2.58 ALOGPS solubility 1.15e+00 g/l ALOGPS melting_point Mp 203-204° logp 0.49 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3-{[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one ChemAxon average_mass 434.3503 ChemAxon mono_mass 434.084911418 ChemAxon smiles OC[C@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@H]1O ChemAxon formula C20H18O11 ChemAxon inchi InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15+,17-,20+/m1/s1 ChemAxon inchikey BDCDNTVZSILEOY-WNJKXWAASA-N ChemAxon polar_surface_area 186.37 ChemAxon refractivity 103.31 ChemAxon polarizability 40.75 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 11 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 104001 Specdb::MsMs 104002 Specdb::MsMs 104003 Specdb::MsMs 170178 Specdb::MsMs 170179 Specdb::MsMs 170180 Specdb::MsMs 3606125 Specdb::MsMs 3606126 Specdb::MsMs 3606127 Specdb::MsMs 3606128 Specdb::MsMs 3606129 Specdb::MsMs 3606130 Apple Type 1 specific Malus pumila 283210 0.238343 0.788748322 0.0 mg/100 g Common grape Type 1 specific Vitis vinifera 29760 0.0 0.0 0.0 mg/100 g Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 1.595 1.595000029 1.595000029 mg/100 g Pear Type 1 specific Pyrus communis 23211 0.0 0.0 0.0 mg/100 g Quince Type 1 specific Cydonia oblonga 36610 0.0 0.0 0.0 mg/100 g Rubus (Blackberry, Raspberry) Type 1 specific Rubus 23216 1.283333 1.283333341 1.283333341 mg/100 g Star anise Type 1 specific Illicium verum 124778 Summer grape Type 1 specific Vitis aestivalis 3605 0.0 0.0 0.0 mg/100 g