1.0 2010-04-08 22:10:40 UTC 2025-11-18 23:44:01 UTC FDB013370 5,7-Dihydroxy-3',4'-dimethoxy-8-(3-hydroxy-3-methylbutyl)-isoflavone 7-glucoside Constituent of soybean molasses (Glycine species). 5,7-Dihydroxy-3',4'-dimethoxy-8-(3-hydroxy-3-methylbutyl)-isoflavone 7-glucoside is found in pulses. 3-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-4H-chromen-4-one 7-glucoside 3-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-4H-chromen-4-one 7-O-b-D-glucopyranoside 5,7-Dihydroxy-3',4'-dimethoxy-8-(3-hydroxy-3-methylbutyl)-isoflavone 7-glucoside C28H34O12 562.5624 562.205026552 3-(3,4-dimethoxyphenyl)-5-hydroxy-8-(3-hydroxy-3-methylbutyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 3-(3,4-dimethoxyphenyl)-5-hydroxy-8-(3-hydroxy-3-methylbutyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one COC1=CC=C(C=C1OC)C1=COC2=C(CCC(C)(C)O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C2C1=O InChI=1S/C28H34O12/c1-28(2,35)8-7-14-18(39-27-25(34)24(33)23(32)20(11-29)40-27)10-16(30)21-22(31)15(12-38-26(14)21)13-5-6-17(36-3)19(9-13)37-4/h5-6,9-10,12,20,23-25,27,29-30,32-35H,7-8,11H2,1-4H3/t20-,23-,24+,25-,27-/m1/s1 AQOVBCDOFOOETK-KAPITKBASA-N belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. Isoflavonoid O-glycosides Organic compounds Phenylpropanoids and polyketides Isoflavonoids Isoflavonoid O-glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 3'-O-methylisoflavones 4'-O-methylisoflavones Acetals Alkyl aryl ethers Anisoles Chromones Dimethoxybenzenes Heteroaromatic compounds Hexoses Hydrocarbon derivatives Hydroxyisoflavonoids Isoflavones O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Tertiary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 3p-methoxyisoflavone 4p-o-methylisoflavone Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Dimethoxybenzene Ether Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyisoflavonoid Isoflavone Isoflavonoid o-glycoside Isoflavonoid-7-o-glycoside Methoxybenzene Monocyclic benzene moiety Monosaccharide O-dimethoxybenzene O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Tertiary alcohol Vinylogous acid logp 1.20 ALOGPS logs -3.34 ALOGPS solubility 2.57e-01 g/l ALOGPS logp 1.46 ChemAxon pka_strongest_acidic 8.92 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac 3-(3,4-dimethoxyphenyl)-5-hydroxy-8-(3-hydroxy-3-methylbutyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 562.5624 ChemAxon mono_mass 562.205026552 ChemAxon smiles COC1=CC=C(C=C1OC)C1=COC2=C(CCC(C)(C)O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C2C1=O ChemAxon formula C28H34O12 ChemAxon inchi InChI=1S/C28H34O12/c1-28(2,35)8-7-14-18(39-27-25(34)24(33)23(32)20(11-29)40-27)10-16(30)21-22(31)15(12-38-26(14)21)13-5-6-17(36-3)19(9-13)37-4/h5-6,9-10,12,20,23-25,27,29-30,32-35H,7-8,11H2,1-4H3/t20-,23-,24+,25-,27-/m1/s1 ChemAxon inchikey AQOVBCDOFOOETK-KAPITKBASA-N ChemAxon polar_surface_area 184.6 ChemAxon refractivity 140 ChemAxon polarizability 58.24 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 12 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 91875 Specdb::MsMs 91876 Specdb::MsMs 91877 Specdb::MsMs 155367 Specdb::MsMs 155368 Specdb::MsMs 155369 Specdb::MsMs 2704130 Specdb::MsMs 2704131 Specdb::MsMs 2704132 Specdb::MsMs 3002035 Specdb::MsMs 3002036 Specdb::MsMs 3002037 Specdb::CMs 23191 Specdb::CMs 44052 Specdb::CMs 282023 Specdb::CMs 349405 Specdb::CMs 349406 Specdb::CMs 349407 Specdb::CMs 349408 Specdb::CMs 349409 Specdb::CMs 349410 Specdb::CMs 349411 Specdb::CMs 349412 Specdb::CMs 349413 Specdb::CMs 349414 Specdb::CMs 349415 Specdb::CMs 349416 Specdb::CMs 349417 Specdb::CMs 349418 Specdb::CMs 349419 Specdb::CMs 349420 Specdb::CMs 349421 Specdb::CMs 349422 Specdb::CMs 349423 Specdb::CMs 349424 Specdb::CMs 349425 Specdb::CMs 349426 HMDB34812 #<Reference:0x000055ce321739b8> Pulses Unknown generic