1.0 2010-04-08 22:14:00 UTC 2019-11-26 03:16:52 UTC FDB018902 2'-Hydroxydaidzein 4',7-diglucoside Stress metabolite from cell suspension cultures of Vigna angularis (azuki bean). 2'-Hydroxydaidzein 4',7-diglucoside is found in pulses and adzuki bean. 2'-Hydroxydaidzein 4',7-diglucoside 2'-Hydroxydaidzein 7,4'-di-O-glucoside 2',4',7-Trihydroxyisoflavone 4',7-di-O-b-D-glucopyranoside 2',4',7-Trihydroxyisoflavone 4',7-diglucoside C27H30O15 594.5181 594.15847029 3-(2-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one 3-(2-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one 88048-22-0 OCC1OC(OC2=CC(O)=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/C27H30O15/c28-7-17-20(32)22(34)24(36)26(41-17)39-10-1-3-12(15(30)5-10)14-9-38-16-6-11(2-4-13(16)19(14)31)40-27-25(37)23(35)21(33)18(8-29)42-27/h1-6,9,17-18,20-30,32-37H,7-8H2 DNPGZHRLHFUCNR-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 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyisoflavonoids 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 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyisoflavonoid 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 Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol logp -0.51 ALOGPS logs -2.52 ALOGPS solubility 1.80e+00 g/l ALOGPS logp -2.1 ChemAxon pka_strongest_acidic 8.53 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3-(2-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 594.5181 ChemAxon mono_mass 594.15847029 ChemAxon smiles OCC1OC(OC2=CC(O)=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 C27H30O15 ChemAxon inchi InChI=1S/C27H30O15/c28-7-17-20(32)22(34)24(36)26(41-17)39-10-1-3-12(15(30)5-10)14-9-38-16-6-11(2-4-13(16)19(14)31)40-27-25(37)23(35)21(33)18(8-29)42-27/h1-6,9,17-18,20-30,32-37H,7-8H2 ChemAxon inchikey DNPGZHRLHFUCNR-UHFFFAOYSA-N ChemAxon polar_surface_area 245.29 ChemAxon refractivity 135.97 ChemAxon polarizability 57.97 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 15 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 65475 Specdb::MsMs 65476 Specdb::MsMs 65477 Specdb::MsMs 122880 Specdb::MsMs 122881 Specdb::MsMs 122882 Specdb::MsMs 3060963 Specdb::MsMs 3060964 Specdb::MsMs 3060965 Specdb::MsMs 3108732 Specdb::MsMs 3108733 Specdb::MsMs 3108734 Specdb::CMs 14252 Specdb::CMs 282982 Specdb::CMs 436509 Specdb::CMs 436510 Specdb::CMs 436511 Specdb::CMs 436512 Specdb::CMs 436513 Specdb::CMs 436514 Specdb::CMs 436515 Specdb::CMs 436516 Specdb::CMs 436517 Specdb::CMs 436518 Specdb::CMs 436519 Specdb::CMs 436520 Specdb::CMs 436521 Specdb::CMs 436522 Specdb::CMs 436523 Specdb::CMs 436524 Specdb::CMs 436525 Specdb::CMs 436526 Specdb::CMs 436527 Specdb::CMs 436528 Specdb::CMs 436529 Specdb::CMs 436530 Specdb::CMs 436531 Specdb::NmrOneD 32422 Specdb::NmrOneD 32423 Specdb::NmrOneD 32424 Specdb::NmrOneD 32425 Specdb::NmrOneD 32426 Specdb::NmrOneD 32427 Specdb::NmrOneD 32428 Specdb::NmrOneD 32429 Specdb::NmrOneD 32430 Specdb::NmrOneD 32431 Specdb::NmrOneD 32432 Specdb::NmrOneD 32433 Specdb::NmrOneD 32434 Specdb::NmrOneD 32435 Specdb::NmrOneD 32436 Specdb::NmrOneD 32437 Specdb::NmrOneD 32438 Specdb::NmrOneD 32439 Specdb::NmrOneD 32440 Specdb::NmrOneD 32441 HMDB39347 #<Reference:0x000055ce32494a98> Adzuki bean Type 1 specific Vigna angularis 3914 Pulses Unknown generic