1.0 2010-04-08 22:15:24 UTC 2019-11-26 03:19:46 UTC FDB021011 6''-(3-Hydroxy-3-methylbutanoyl)astragalin Constituent of aged callus cultures of lime (Citrus aurantifolia). 6''-(3-Hydroxy-3-methylbutanoyl)astragalin is found in citrus. 3-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 6''-(3-Hydroxy-3-methylbutanoyl)astragalin 6''-O-(3-Hydroxy-3-methylglutaroyl)astragalin Kaempferol 3-[6-O-(3-hydroxy-3-methylglutaroyl)glucoside] Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside] C27H28O15 592.5022 592.142820226 5-[(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid 5-[(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid 157407-84-6 CC(O)(CC(O)=O)CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C27H28O15/c1-27(38,8-17(31)32)9-18(33)39-10-16-20(34)22(36)23(37)26(41-16)42-25-21(35)19-14(30)6-13(29)7-15(19)40-24(25)11-2-4-12(28)5-3-11/h2-7,16,20,22-23,26,28-30,34,36-38H,8-10H2,1H3,(H,31,32) ZALWWUJLKFBCQF-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Flavonoid-3-O-glycosides 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 7-hydroxyflavonoids Acetals Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Carboxylic acids Chromones Dicarboxylic acids and derivatives Fatty acid esters Flavones Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyranones and derivatives Saccharolipids Secondary alcohols Tertiary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Chromone Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Pyran Pyranone Saccharolipid Secondary alcohol Tertiary alcohol Vinylogous acid logp 1.02 ALOGPS logs -2.91 ALOGPS solubility 7.24e-01 g/l ALOGPS melting_point Mp 210-213° logp 0.075 ChemAxon pka_strongest_acidic 3.75 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-[(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid ChemAxon average_mass 592.5022 ChemAxon mono_mass 592.142820226 ChemAxon smiles CC(O)(CC(O)=O)CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C27H28O15 ChemAxon inchi InChI=1S/C27H28O15/c1-27(38,8-17(31)32)9-18(33)39-10-16-20(34)22(36)23(37)26(41-16)42-25-21(35)19-14(30)6-13(29)7-15(19)40-24(25)11-2-4-12(28)5-3-11/h2-7,16,20,22-23,26,28-30,34,36-38H,8-10H2,1H3,(H,31,32) ChemAxon inchikey ZALWWUJLKFBCQF-UHFFFAOYSA-N ChemAxon polar_surface_area 249.97 ChemAxon refractivity 137.94 ChemAxon polarizability 55.99 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 14 ChemAxon donor_count 8 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14672 Specdb::CMs 47135 Specdb::CMs 282892 Specdb::CMs 420087 Specdb::CMs 420088 Specdb::CMs 420089 Specdb::CMs 420090 Specdb::CMs 420091 Specdb::CMs 420092 Specdb::CMs 420093 Specdb::CMs 420094 Specdb::CMs 420095 Specdb::CMs 420096 Specdb::CMs 420097 Specdb::CMs 420098 Specdb::CMs 420099 Specdb::CMs 420100 Specdb::CMs 420101 Specdb::CMs 420102 Specdb::CMs 420103 Specdb::CMs 420104 Specdb::CMs 420105 Specdb::CMs 420106 Specdb::CMs 420107 Specdb::CMs 420108 Specdb::MsMs 298432 Specdb::MsMs 298433 Specdb::MsMs 298434 Specdb::MsMs 340186 Specdb::MsMs 340187 Specdb::MsMs 340188 Specdb::MsMs 2227109 Specdb::MsMs 2227574 Specdb::MsMs 2229474 Specdb::MsMs 2360753 Specdb::MsMs 2360754 Specdb::MsMs 2360755 Specdb::MsMs 2605268 Specdb::MsMs 2605269 Specdb::MsMs 2605270 HMDB41129 #<Reference:0x000055ce32fef258> Citrus Unknown generic