1.0 2010-04-08 22:14:27 UTC 2019-11-26 03:17:39 UTC FDB019587 Formononetin 7-(2'',6''-diacetylglucoside) Constituent of soybeans, Glycine max. Formononetin 7-(2'',6''-diacetylglucoside) is found in pulses. 2'',6''-Di-O-acetylononin 7-Hydroxy-4'-methoxyisoflavone 7-(2,6-diacetylglucoside) 7-Hydroxy-4'-methoxyisoflavone 7-O-(2,6-di-O-acetyl-b-D-glucopyranoside) Formononetin 7-(2'',6''-diacetylglucoside) C26H26O11 514.478 514.147511674 [5-(acetyloxy)-3,4-dihydroxy-6-{[3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methyl acetate [5-(acetyloxy)-3,4-dihydroxy-6-{[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl]methyl acetate 485-72-3 COC1=CC=C(C=C1)C1=COC2=C(C=CC(OC3OC(COC(C)=O)C(O)C(O)C3OC(C)=O)=C2)C1=O InChI=1S/C26H26O11/c1-13(27)33-12-21-23(30)24(31)25(35-14(2)28)26(37-21)36-17-8-9-18-20(10-17)34-11-19(22(18)29)15-4-6-16(32-3)7-5-15/h4-11,21,23-26,30-31H,12H2,1-3H3 WAYQNCRYBDCMOP-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 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Alkyl aryl ethers Aryl alkyl ketones Catechols Chromones Cinnamic acid esters Coumaric acid esters Coumaric acids and derivatives Enoate esters Fatty acid esters Flavanones Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Secondary alcohols Styrenes Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Catechol Chromane Chromone Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid ester Coumaric acid or derivatives Enoate ester Ether Fatty acid ester Fatty acyl Flavan Flavanone Flavonoid-7-o-glycoside Glycosyl compound Hydrocarbon derivative Hydroxycinnamic acid or derivatives Hydroxyflavonoid Ketone Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Secondary alcohol Styrene Vinylogous acid logp 2.11 ALOGPS logs -3.68 ALOGPS solubility 1.09e-01 g/l ALOGPS logp 1.49 ChemAxon pka_strongest_acidic 12.7 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac [5-(acetyloxy)-3,4-dihydroxy-6-{[3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methyl acetate ChemAxon average_mass 514.478 ChemAxon mono_mass 514.147511674 ChemAxon smiles COC1=CC=C(C=C1)C1=COC2=C(C=CC(OC3OC(COC(C)=O)C(O)C(O)C3OC(C)=O)=C2)C1=O ChemAxon formula C26H26O11 ChemAxon inchi InChI=1S/C26H26O11/c1-13(27)33-12-21-23(30)24(31)25(35-14(2)28)26(37-21)36-17-8-9-18-20(10-17)34-11-19(22(18)29)15-4-6-16(32-3)7-5-15/h4-11,21,23-26,30-31H,12H2,1-3H3 ChemAxon inchikey WAYQNCRYBDCMOP-UHFFFAOYSA-N ChemAxon polar_surface_area 147.05 ChemAxon refractivity 124.63 ChemAxon polarizability 51.69 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 9 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17070 Specdb::CMs 46643 Specdb::MsMs 66762 Specdb::MsMs 66763 Specdb::MsMs 66764 Specdb::MsMs 124395 Specdb::MsMs 124396 Specdb::MsMs 124397 Specdb::MsMs 3051824 Specdb::MsMs 3051825 Specdb::MsMs 3051826 Specdb::MsMs 3114698 Specdb::MsMs 3114699 Specdb::MsMs 3114700 HMDB39925 #<Reference:0x000055ce3244adf8> Pulses Unknown generic