1.0 2010-04-08 22:12:29 UTC 2019-11-26 03:13:22 UTC FDB016512 Chrysoeriol 7-glucoside Chrysoeriol 7-galactoside is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Chrysoeriol 7-galactoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Chrysoeriol 7-galactoside can be found in barley, which makes chrysoeriol 7-galactoside a potential biomarker for the consumption of this food product. 7-O-beta-D-glucopyranoside Chrysoeriol 7-glucoside Chrysoeriol 7-O-glucoside Thermopsoside C22H22O11 462.4035 462.116211546 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one 19993-32-9 COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1 InChI=1S/C22H22O11/c1-30-15-4-9(2-3-11(15)24)14-7-13(26)18-12(25)5-10(6-16(18)32-14)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3 GAMYVSCDDLXAQW-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Flavonoid-7-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-O-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Chromones Flavones Heteroaromatic compounds Hexoses Hydrocarbon derivatives Methoxybenzenes Methoxyphenols O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid melting_point Mp 176-179° logp 0.28 ChemAxon pka_strongest_acidic 7.31 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 462.4035 ChemAxon mono_mass 462.116211546 ChemAxon smiles COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2O1 ChemAxon formula C22H22O11 ChemAxon inchi InChI=1S/C22H22O11/c1-30-15-4-9(2-3-11(15)24)14-7-13(26)18-12(25)5-10(6-16(18)32-14)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3 ChemAxon inchikey GAMYVSCDDLXAQW-UHFFFAOYSA-N ChemAxon polar_surface_area 175.37 ChemAxon refractivity 111.52 ChemAxon polarizability 45.13 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Barley Type 1 specific Hordeum vulgare 4513 Carrot Type 1 specific Daucus carota ssp. sativus 79200 Celery leaves Type 1 specific Apium graveolens var. secalinum 941588 0.0 0.0 0.0 mg/100 g Cocoa bean Type 1 specific Theobroma cacao 3641 Date Type 1 specific Phoenix dactylifera 42345 German camomile Type 1 specific Matricaria recutita 127986 Olive Type 1 specific Olea europaea 4146 Parsley Type 1 specific Petroselinum crispum 4043 Pear Type 1 specific Pyrus communis 23211 Wild carrot Type 1 specific Daucus carota 4039 Wild celery Type 1 specific Apium graveolens 4045 0.0 0.0 0.0 mg/100 g anti complementary 201