1.0 2010-04-08 22:11:06 UTC 2025-11-19 00:44:11 UTC FDB014148 Myricetin 7-(6''-galloylglucoside) Constituent of the pods of Acacia farnesiana (sweet acacia) 3,3',4',5,5',7-Hexahydroxyflavone 7-O-[3,4,5-trihydroxybenzoyl-(->6)-b-D-glucopyranoside] Myricetin 7-galloylglucoside Myricetin 7-O-[3,4,5-trihydroxybenzoyl-(->6)-b-D-glucopyranoside] Myricetin 7-O-[galloyl-(->6)-b-D-glucopyranoside] C28H24O17 632.48 632.101349342 (6-{[3,5-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate (6-{[3,5-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate 617-45-8 OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC(O)=C(O)C(O)=C3)=C2)C1O InChI=1S/C28H24O17/c29-11-5-10(6-16-18(11)22(37)24(39)26(44-16)8-1-12(30)19(34)13(31)2-8)43-28-25(40)23(38)21(36)17(45-28)7-42-27(41)9-3-14(32)20(35)15(33)4-9/h1-6,17,21,23,25,28-36,38-40H,7H2 MZDFJFBTVPXCAQ-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 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromone Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Pyran Pyranone Secondary alcohol Vinylogous acid logp 1.72 ALOGPS logs -2.94 ALOGPS solubility 7.26e-01 g/l ALOGPS melting_point Mp 238° logp 1.17 ChemAxon pka_strongest_acidic 7.62 ChemAxon pka_strongest_basic -4 ChemAxon iupac (6-{[3,5-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate ChemAxon average_mass 632.48 ChemAxon mono_mass 632.101349342 ChemAxon smiles OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC(O)=C(O)C(O)=C3)=C2)C1O ChemAxon formula C28H24O17 ChemAxon inchi InChI=1S/C28H24O17/c29-11-5-10(6-16-18(11)22(37)24(39)26(44-16)8-1-12(30)19(34)13(31)2-8)43-28-25(40)23(38)21(36)17(45-28)7-42-27(41)9-3-14(32)20(35)15(33)4-9/h1-6,17,21,23,25,28-36,38-40H,7H2 ChemAxon inchikey MZDFJFBTVPXCAQ-UHFFFAOYSA-N ChemAxon polar_surface_area 293.59 ChemAxon refractivity 146.75 ChemAxon polarizability 58.02 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 16 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24774 Specdb::CMs 586842 Specdb::CMs 586843 Specdb::CMs 586844 Specdb::CMs 586845 Specdb::CMs 586846 Specdb::CMs 586847 Specdb::CMs 586848 Specdb::CMs 586849 Specdb::CMs 586850 Specdb::CMs 586851 Specdb::CMs 586852 Specdb::CMs 586853 Specdb::CMs 586854 Specdb::CMs 586855 Specdb::CMs 586856 Specdb::CMs 586857 Specdb::CMs 586858 Specdb::CMs 586859 Specdb::CMs 586860 Specdb::CMs 586861 Specdb::CMs 586862 Specdb::CMs 586863 Specdb::CMs 586864 Specdb::CMs 586865 Specdb::MsMs 55824 Specdb::MsMs 55825 Specdb::MsMs 55826 Specdb::MsMs 111060 Specdb::MsMs 111061 Specdb::MsMs 111062 Specdb::MsMs 2284438 Specdb::MsMs 2284439 Specdb::MsMs 2284440 Specdb::MsMs 3081891 Specdb::MsMs 3081892 Specdb::MsMs 3081893 HMDB35463 #<Reference:0x000055ce326887c8>