1.0 2010-04-08 22:10:03 UTC 2019-11-26 03:06:26 UTC FDB012226 Daidzein 4',7-diglucoside Stress metabolite of cell cultures of azuki bean (Vigna angularis). Daidzein 4',7-diglucoside is found in pulses and adzuki bean. 4',7-Dihydroxyisoflavone 4',7-di-O-b-D-glucopyranoside 4',7-Dihydroxyisoflavone 4',7-diglucoside Daidzein 4',7-diglucoside Daidzein 7,4'-di-O-glucoside Daidzein-4,7-diglucoside C27H30O14 578.5187 578.163555668 7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one 7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one 53681-67-7 OCC1OC(OC2=CC=C(C=C2)C2=COC3=C(C=CC(OC4OC(CO)C(O)C(O)C4O)=C3)C2=O)C(O)C(O)C1O InChI=1S/C27H30O14/c28-8-17-20(31)22(33)24(35)26(40-17)38-12-3-1-11(2-4-12)15-10-37-16-7-13(5-6-14(16)19(15)30)39-27-25(36)23(34)21(32)18(9-29)41-27/h1-7,10,17-18,20-29,31-36H,8-9H2 VWEWSCDQMVNOJP-UHFFFAOYSA-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 Acetals Chromones Heteroaromatic compounds Hydrocarbon derivatives Isoflavones Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols 1-benzopyran Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Isoflavone Isoflavonoid o-glycoside Isoflavonoid-4p-o-glycoside Isoflavonoid-7-o-glycoside Monocyclic benzene moiety Monosaccharide 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 logp -0.33 ALOGPS logs -2.63 ALOGPS solubility 1.36e+00 g/l ALOGPS melting_point Mp 241° logp -1.8 ChemAxon pka_strongest_acidic 11.9 ChemAxon pka_strongest_basic -3 ChemAxon iupac 7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one ChemAxon average_mass 578.5187 ChemAxon mono_mass 578.163555668 ChemAxon smiles OCC1OC(OC2=CC=C(C=C2)C2=COC3=C(C=CC(OC4OC(CO)C(O)C(O)C4O)=C3)C2=O)C(O)C(O)C1O ChemAxon formula C27H30O14 ChemAxon inchi InChI=1S/C27H30O14/c28-8-17-20(31)22(33)24(35)26(40-17)38-12-3-1-11(2-4-12)15-10-37-16-7-13(5-6-14(16)19(15)30)39-27-25(36)23(34)21(32)18(9-29)41-27/h1-7,10,17-18,20-29,31-36H,8-9H2 ChemAxon inchikey VWEWSCDQMVNOJP-UHFFFAOYSA-N ChemAxon polar_surface_area 225.06 ChemAxon refractivity 133.99 ChemAxon polarizability 57.01 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 14 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 124038 Specdb::NmrOneD 124039 Specdb::NmrOneD 124040 Specdb::NmrOneD 124041 Specdb::NmrOneD 124042 Specdb::NmrOneD 124043 Specdb::NmrOneD 124044 Specdb::NmrOneD 124045 Specdb::NmrOneD 124046 Specdb::NmrOneD 124047 Specdb::NmrOneD 124048 Specdb::NmrOneD 124049 Specdb::NmrOneD 124050 Specdb::NmrOneD 124051 Specdb::NmrOneD 124052 Specdb::NmrOneD 124053 Specdb::NmrOneD 124054 Specdb::NmrOneD 124055 Specdb::NmrOneD 124056 Specdb::NmrOneD 124057 Specdb::MsMs 86748 Specdb::MsMs 86749 Specdb::MsMs 86750 Specdb::MsMs 149112 Specdb::MsMs 149113 Specdb::MsMs 149114 Specdb::MsMs 2414989 Specdb::MsMs 2414990 Specdb::MsMs 2414991 Specdb::MsMs 2546883 Specdb::MsMs 2546884 Specdb::MsMs 2546885 Specdb::CMs 16733 Specdb::CMs 43630 Specdb::CMs 282477 Specdb::CMs 381646 Specdb::CMs 381647 Specdb::CMs 381648 Specdb::CMs 381649 Specdb::CMs 381650 Specdb::CMs 381651 Specdb::CMs 381652 Specdb::CMs 381653 Specdb::CMs 381654 Specdb::CMs 381655 Specdb::CMs 381656 Specdb::CMs 381657 Specdb::CMs 381658 Specdb::CMs 381659 Specdb::CMs 381660 Specdb::CMs 381661 Specdb::CMs 381662 Specdb::CMs 381663 Specdb::CMs 381664 Specdb::CMs 381665 Specdb::CMs 381666 Specdb::CMs 381667 HMDB33992 #<Reference:0x000055ce33373050> Adzuki bean Type 1 specific Vigna angularis 3914 Pulses Unknown generic