1.0 2010-04-08 22:14:27 UTC 2025-11-19 02:21:08 UTC FDB019593 Chrysoeriol 4',7-diglucuronide Constituent of the aerial parts of alfalfa (Medicago sativa). Chrysoeriol 4',7-diglucuronide is found in alfalfa and pulses. 2,2,2-Trifluoroethyl triflate 2,2,2-Trifluoroethyl trifluorometanesulfonic acid 2,2,2-Trifluoroethyl trifluoromethanesulfonate 4-[7-(beta-D-Glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]-2-methoxyphenyl beta-D-glucopyranosiduronic acid 4',5,7-Trihydroxy-3'-methoxyflavone 4',7-di-O-b-D-glucuronopyranoside Chrysoeriol 4',7-di-O-b-D-glucuronopyranoside Chrysoeriol 4',7-diglucuronide Chrysoeriol 7,4'-diglucuronide C28H28O18 652.5111 652.127564092 6-(4-{7-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-5-hydroxy-4-oxo-4H-chromen-2-yl}-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 6-(4-{7-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-5-hydroxy-4-oxochromen-2-yl}-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 80366-06-9 COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=CC(=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2O1 InChI=1S/C28H28O18/c1-41-14-4-8(2-3-12(14)44-28-22(36)18(32)20(34)24(46-28)26(39)40)13-7-11(30)16-10(29)5-9(6-15(16)43-13)42-27-21(35)17(31)19(33)23(45-27)25(37)38/h2-7,17-24,27-29,31-36H,1H3,(H,37,38)(H,39,40) XGVYZZQNJZYTNO-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-7-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position. Flavonoid-7-O-glucuronides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-O-methylated flavonoids 5-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Chromones Dicarboxylic acids and derivatives Flavones Flavonoid-7-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Monosaccharides O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-o-glucuronide 3p-methoxyflavonoid-skeleton 5-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Chromone Dicarboxylic acid or derivatives Ether Flavone Flavonoid-7-o-glucuronide Flavonoid-7-o-glycoside Glucuronic acid or derivatives Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxy acid Hydroxyflavonoid Methoxybenzene Monocyclic benzene moiety Monosaccharide O-glucuronide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Pyran Pyranone Secondary alcohol Vinylogous acid logp 0.26 ALOGPS logs -2.57 ALOGPS solubility 1.77e+00 g/l ALOGPS melting_point Mp 207-208° logp -1.3 ChemAxon pka_strongest_acidic 2.58 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 6-(4-{7-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-5-hydroxy-4-oxo-4H-chromen-2-yl}-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid ChemAxon average_mass 652.5111 ChemAxon mono_mass 652.127564092 ChemAxon smiles COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=CC(=C1)C1=CC(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2O1 ChemAxon formula C28H28O18 ChemAxon inchi InChI=1S/C28H28O18/c1-41-14-4-8(2-3-12(14)44-28-22(36)18(32)20(34)24(46-28)26(39)40)13-7-11(30)16-10(29)5-9(6-15(16)43-13)42-27-21(35)17(31)19(33)23(45-27)25(37)38/h2-7,17-24,27-29,31-36H,1H3,(H,37,38)(H,39,40) ChemAxon inchikey XGVYZZQNJZYTNO-UHFFFAOYSA-N ChemAxon polar_surface_area 288.66 ChemAxon refractivity 143.4 ChemAxon polarizability 61.15 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 18 ChemAxon donor_count 9 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24908 Specdb::CMs 644859 Specdb::CMs 644860 Specdb::CMs 644861 Specdb::CMs 644862 Specdb::CMs 644863 Specdb::CMs 644864 Specdb::CMs 644865 Specdb::CMs 644866 Specdb::CMs 644867 Specdb::CMs 644868 Specdb::CMs 644869 Specdb::CMs 644870 Specdb::CMs 644871 Specdb::CMs 644872 Specdb::CMs 644873 Specdb::CMs 644874 Specdb::CMs 644875 Specdb::CMs 644876 Specdb::CMs 644877 Specdb::CMs 644878 Specdb::CMs 644879 Specdb::CMs 644880 Specdb::CMs 644881 Specdb::CMs 644882 Specdb::MsMs 65178 Specdb::MsMs 65179 Specdb::MsMs 65180 Specdb::MsMs 122529 Specdb::MsMs 122530 Specdb::MsMs 122531 Specdb::MsMs 2780686 Specdb::MsMs 2780687 Specdb::MsMs 2780688 Specdb::MsMs 2924326 Specdb::MsMs 2924327 Specdb::MsMs 2924328 Specdb::NmrOneD 37002 Specdb::NmrOneD 37003 Specdb::NmrOneD 37004 Specdb::NmrOneD 37005 Specdb::NmrOneD 37006 Specdb::NmrOneD 37007 Specdb::NmrOneD 37008 Specdb::NmrOneD 37009 Specdb::NmrOneD 37010 Specdb::NmrOneD 37011 Specdb::NmrOneD 37012 Specdb::NmrOneD 37013 Specdb::NmrOneD 37014 Specdb::NmrOneD 37015 Specdb::NmrOneD 37016 Specdb::NmrOneD 37017 Specdb::NmrOneD 37018 Specdb::NmrOneD 37019 Specdb::NmrOneD 37020 Specdb::NmrOneD 37021 HMDB39931 #<Reference:0x00007f093c19c7a0> Alfalfa Type 1 specific Medicago sativa 3879 Pulses Unknown generic