1.0 2010-04-08 22:05:11 UTC 2025-11-18 22:34:12 UTC FDB001983 Taxifolin 3-xyloside Taxifolin 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. Taxifolin 3-xyloside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Taxifolin 3-xyloside can be found in common buckwheat, which makes taxifolin 3-xyloside a potential biomarker for the consumption of this food product. (2R,3R)-Taxifolin 3-xyloside C20H20O11 436.3662 436.100561482 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-one 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,3-dihydro-1-benzopyran-4-one 75714-88-4 OC1COC(OC2C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C1O InChI=1S/C20H20O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17-26,28H,6H2 UKSPRKDZNYSFRL-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 Alkyl aryl ethers Aryl alkyl ketones Benzene and substituted derivatives Catechols Chromones Flavanonols Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Catechol Chromane Chromone Ether Flavan Flavanone Flavanonol Flavonoid-3-o-glycoside Glycosyl compound Hydrocarbon derivative Hydroxyflavonoid Ketone Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Secondary alcohol Vinylogous acid logp 0.31 ALOGPS logs -2.12 ALOGPS solubility 3.29e+00 g/l ALOGPS logp 0.68 ChemAxon pka_strongest_acidic 7.74 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 436.3662 ChemAxon mono_mass 436.100561482 ChemAxon smiles OC1COC(OC2C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C1O ChemAxon formula C20H20O11 ChemAxon inchi InChI=1S/C20H20O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17-26,28H,6H2 ChemAxon inchikey UKSPRKDZNYSFRL-UHFFFAOYSA-N ChemAxon polar_surface_area 186.37 ChemAxon refractivity 101.06 ChemAxon polarizability 41.28 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 11 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 83391 Specdb::MsMs 107691 Specdb::MsMs 107692 Specdb::MsMs 107693 Specdb::MsMs 174729 Specdb::MsMs 174730 Specdb::MsMs 174731 Common buckwheat Type 1 specific Fagopyrum esculentum 3617