1.0 2010-04-08 22:09:46 UTC 2025-11-18 23:30:09 UTC FDB011677 Quercetin 7-(6''-acetylglucoside) Constituent of the pods of Acacia farnesiana (sweet acacia). Quercetin 7-(6''-acetylglucoside) is found in safflower. 6''-O-Galloylquercimeritrin Quercetin 7-(6''-acetylglucoside) C28H24O16 616.4806 616.10643472 (6-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate (6-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate 72659-74-6 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=C3)=C2)C1O InChI=1S/C28H24O16/c29-12-2-1-9(3-13(12)30)26-24(38)22(36)19-14(31)6-11(7-17(19)43-26)42-28-25(39)23(37)21(35)18(44-28)8-41-27(40)10-4-15(32)20(34)16(33)5-10/h1-7,18,21,23,25,28-35,37-39H,8H2 USBMLXYFQKQZDJ-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'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Benzoyl derivatives Carboxylic acid esters Catechols Chromones Flavonols Galloyl esters Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Pyranones and derivatives Pyrogallols and derivatives Secondary alcohols Vinylogous acids m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3-hydroxyflavone 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzopyran Benzoyl Carboxylic acid derivative Carboxylic acid ester Catechol Chromone Flavone Flavonoid-7-o-glycoside Gallic acid or derivatives Galloyl ester Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid M-hydroxybenzoic acid ester Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Phenolic glycoside Polyol Pyran Pyranone Pyrogallol derivative Secondary alcohol Vinylogous acid logp 1.90 ALOGPS logs -3.09 ALOGPS solubility 4.97e-01 g/l ALOGPS melting_point Mp 215° logp 1.47 ChemAxon pka_strongest_acidic 7.74 ChemAxon pka_strongest_basic -4 ChemAxon iupac (6-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate ChemAxon average_mass 616.4806 ChemAxon mono_mass 616.10643472 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=C3)=C2)C1O ChemAxon formula C28H24O16 ChemAxon inchi InChI=1S/C28H24O16/c29-12-2-1-9(3-13(12)30)26-24(38)22(36)19-14(31)6-11(7-17(19)43-26)42-28-25(39)23(37)21(35)18(44-28)8-41-27(40)10-4-15(32)20(34)16(33)5-10/h1-7,18,21,23,25,28-35,37-39H,8H2 ChemAxon inchikey USBMLXYFQKQZDJ-UHFFFAOYSA-N ChemAxon polar_surface_area 273.36 ChemAxon refractivity 144.77 ChemAxon polarizability 57.15 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 15 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 90978 Specdb::MsMs 90979 Specdb::MsMs 90980 Specdb::MsMs 154266 Specdb::MsMs 154267 Specdb::MsMs 154268 Specdb::MsMs 2751445 Specdb::MsMs 2751446 Specdb::MsMs 2751447 Specdb::MsMs 2930172 Specdb::MsMs 2930173 Specdb::MsMs 2930174 Specdb::CMs 17876 Specdb::CMs 43372 Specdb::CMs 539804 Specdb::CMs 539805 Specdb::CMs 539806 Specdb::CMs 539807 Specdb::CMs 539808 Specdb::CMs 539809 Specdb::CMs 539810 Specdb::CMs 539811 Specdb::CMs 539812 Specdb::CMs 539813 Specdb::CMs 539814 Specdb::CMs 539815 Specdb::CMs 539816 Specdb::CMs 539817 Specdb::CMs 539818 Specdb::CMs 539819 Specdb::CMs 539820 Specdb::CMs 539821 Specdb::CMs 539822 Specdb::CMs 539823 Specdb::CMs 539824 Specdb::CMs 539825 Specdb::CMs 539826 HMDB33593 #<Reference:0x000055ce31d72b98> Safflower Type 1 specific Carthamus tinctorius 4222