1.0 2010-04-08 22:05:24 UTC 2019-11-26 02:57:32 UTC FDB002502 Vitexin 7-glucoside Vitexin 7-glucoside 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. Vitexin 7-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Vitexin 7-glucoside can be found in barley and fenugreek, which makes vitexin 7-glucoside a potential biomarker for the consumption of these food products. Afroside? Vitexin 7-glucoside Vitexin 7-O-glucoside C27H30O15 594.5181 594.15847029 5-hydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 5-hydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one 35109-95-6 OCC1OC(OC2=C(C3OC(CO)C(O)C(O)C3O)C3=C(C(O)=C2)C(=O)C=C(O3)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C27H30O15/c28-7-15-19(33)21(35)23(37)26(40-15)18-14(41-27-24(38)22(36)20(34)16(8-29)42-27)6-12(32)17-11(31)5-13(39-25(17)18)9-1-3-10(30)4-2-9/h1-6,15-16,19-24,26-30,32-38H,7-8H2 HHRPSKAYQPDDGQ-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 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Benzene and substituted derivatives C-glycosyl compounds Chromones Dialkyl ethers Flavones Flavonoid 8-C-glycosides Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran C-glycosyl compound Chromone Dialkyl ether Ether Flavone Flavonoid c-glycoside Flavonoid-7-o-glycoside Flavonoid-8-c-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 Oxane Phenol Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.85 ALOGPS logs -1.99 ALOGPS solubility 6.11e+00 g/l ALOGPS melting_point Mp 242-243° logp -2.3 ChemAxon pka_strongest_acidic 7.24 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5-hydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 594.5181 ChemAxon mono_mass 594.15847029 ChemAxon smiles OCC1OC(OC2=C(C3OC(CO)C(O)C(O)C3O)C3=C(C(O)=C2)C(=O)C=C(O3)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C27H30O15 ChemAxon inchi InChI=1S/C27H30O15/c28-7-15-19(33)21(35)23(37)26(40-15)18-14(41-27-24(38)22(36)20(34)16(8-29)42-27)6-12(32)17-11(31)5-13(39-25(17)18)9-1-3-10(30)4-2-9/h1-6,15-16,19-24,26-30,32-38H,7-8H2 ChemAxon inchikey HHRPSKAYQPDDGQ-UHFFFAOYSA-N ChemAxon polar_surface_area 256.29 ChemAxon refractivity 138.18 ChemAxon polarizability 57.2 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 15 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 90813 Specdb::MsMs 90814 Specdb::MsMs 90815 Specdb::MsMs 154065 Specdb::MsMs 154066 Specdb::MsMs 154067 Barley Type 1 specific Hordeum vulgare 4513 Fenugreek Type 1 specific Trigonella foenum-graecum 78534