1.0 2010-04-08 22:13:37 UTC 2025-11-19 02:10:41 UTC FDB018282 Apigenin 7-[rhamnosyl-(1->2)-galacturonide] Isolated from flowers of Silybum marianum (milk thistle). Apigenin 7-[rhamnosyl-(1->2)-galacturonide] is found in green vegetables. 4',5,7-Trihydroxyflavone 7-O-[a-L-rhamnopyranosyl-(1->2)-b-D-galacturonopyranoside] Apigenin 7-[rhamnosyl-(1->2)-galacturonide] Apigenin 7-O-[a-L-rhamnopyranosyl-(1->2)-b-D-galacturonopyranoside] C27H28O15 592.5022 592.142820226 3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid 3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid 124167-97-1 CC1OC(OC2C(O)C(O)C(OC2OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)=O)C(O)C(O)C1O InChI=1S/C27H28O15/c1-9-18(31)19(32)22(35)26(38-9)42-24-21(34)20(33)23(25(36)37)41-27(24)39-12-6-13(29)17-14(30)8-15(40-16(17)7-12)10-2-4-11(28)5-3-10/h2-9,18-24,26-29,31-35H,1H3,(H,36,37) ONIIEJMYZDRHKM-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 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Benzene and substituted derivatives Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Chromones Disaccharides Flavones Flavonoid-7-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-o-glucuronide 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Chromone Disaccharide Flavone Flavonoid-7-o-glucuronide Flavonoid-7-o-glycoside Glucuronic acid or derivatives Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxy acid Hydroxyflavonoid Monocarboxylic acid or derivatives Monocyclic benzene moiety O-glucuronide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Pyran Pyranone Secondary alcohol Vinylogous acid logp 0.79 ALOGPS logs -2.40 ALOGPS solubility 2.36e+00 g/l ALOGPS melting_point 347.5 oC logp 0.035 ChemAxon pka_strongest_acidic 2.8 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid ChemAxon average_mass 592.5022 ChemAxon mono_mass 592.142820226 ChemAxon smiles CC1OC(OC2C(O)C(O)C(OC2OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)=O)C(O)C(O)C1O ChemAxon formula C27H28O15 ChemAxon inchi InChI=1S/C27H28O15/c1-9-18(31)19(32)22(35)26(38-9)42-24-21(34)20(33)23(25(36)37)41-27(24)39-12-6-13(29)17-14(30)8-15(40-16(17)7-12)10-2-4-11(28)5-3-10/h2-9,18-24,26-29,31-35H,1H3,(H,36,37) ChemAxon inchikey ONIIEJMYZDRHKM-UHFFFAOYSA-N ChemAxon polar_surface_area 242.13 ChemAxon refractivity 135.8 ChemAxon polarizability 57.16 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 15 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 12071 Specdb::MsMs 12072 Specdb::MsMs 12073 Specdb::MsMs 18743 Specdb::MsMs 18744 Specdb::MsMs 18745 Specdb::MsMs 2456847 Specdb::MsMs 2456848 Specdb::MsMs 2456849 Specdb::MsMs 2481487 Specdb::MsMs 2481488 Specdb::MsMs 2481489 Specdb::CMs 10926 Specdb::CMs 46097 Specdb::CMs 282891 Specdb::CMs 419890 Specdb::CMs 419891 Specdb::CMs 419892 Specdb::CMs 419893 Specdb::CMs 419894 Specdb::CMs 419895 Specdb::CMs 419896 Specdb::CMs 419897 Specdb::CMs 419898 Specdb::CMs 419899 Specdb::CMs 419900 Specdb::CMs 419901 Specdb::CMs 419902 Specdb::CMs 419903 Specdb::CMs 419904 Specdb::CMs 419905 Specdb::CMs 419906 Specdb::CMs 419907 Specdb::CMs 419908 Specdb::CMs 419909 Specdb::CMs 419910 Specdb::CMs 419911 HMDB38847 #<Reference:0x000055ce329b0d88> #<Reference:0x000055ce329b0b58> #<Reference:0x000055ce329b0950> #<Reference:0x000055ce329b0748> Green vegetables Unknown generic