1.0 2010-04-08 22:12:28 UTC 2019-11-26 03:13:20 UTC FDB016489 6''-(4-Hydroxycinnamoyl)astragalin 4'-glucoside Isolated from Tartar bread plant (Crambe tatarica). 6''-(4-Hydroxycinnamoyl)astragalin 4'-glucoside is found in green vegetables and root vegetables. 6''-(4-Hydroxycinnamoyl)astragalin 4'-glucoside 6''-O-(4-Hydroxycinnamoyl)astragalin 4'-O-b-D-glucopyranoside Kaempferol 3-(6''-p-coumaroylglucoside) 4'-glucoside Kaempferol 3-(6''-P-coumarylglucoside)-4'-glucoside C36H36O18 756.6602 756.190164348 (6-{[5,7-dihydroxy-4-oxo-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate (6-{[5,7-dihydroxy-4-oxo-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate 87339-51-3 OCC1OC(OC2=CC=C(C=C2)C2=C(OC3OC(COC(=O)\C=C\C4=CC=C(O)C=C4)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O InChI=1S/C36H36O18/c37-13-22-26(42)29(45)31(47)35(52-22)50-19-8-4-16(5-9-19)33-34(28(44)25-20(40)11-18(39)12-21(25)51-33)54-36-32(48)30(46)27(43)23(53-36)14-49-24(41)10-3-15-1-6-17(38)7-2-15/h1-12,22-23,26-27,29-32,35-40,42-43,45-48H,13-14H2/b10-3+ GTTHRFWSXLOEPD-XCVCLJGOSA-N belongs to the class of organic compounds known as flavonoid 3-o-p-coumaroyl glycosides. These are flavonoid 3-O-glycosides where the carbohydrate moiety is esterified with a p-coumaric acid. P-coumaric acid is an organic derivative of cinnamic acid, that carries a hydroxyl group at the 4-position of the benzene ring. Flavonoid 3-O-p-coumaroyl glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Carbonyl compounds Chromones Cinnamic acid esters Coumaric acid esters Coumaric acids and derivatives Enoate esters Fatty acid esters Flavones Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Styrenes Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alpha,beta-unsaturated carboxylic ester Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromone Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid ester Coumaric acid or derivatives Enoate ester Fatty acid ester Fatty acyl Flavone Flavonoid 3-o-6-p-coumaroyl-glycoside Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxycinnamic acid or derivatives Hydroxyflavonoid Monocarboxylic acid or derivatives 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 Styrene Vinylogous acid logp 1.23 ALOGPS logs -3.17 ALOGPS solubility 5.09e-01 g/l ALOGPS logp 0.62 ChemAxon pka_strongest_acidic 6.44 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (6-{[5,7-dihydroxy-4-oxo-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate ChemAxon average_mass 756.6602 ChemAxon mono_mass 756.190164348 ChemAxon smiles OCC1OC(OC2=CC=C(C=C2)C2=C(OC3OC(COC(=O)\C=C\C4=CC=C(O)C=C4)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O ChemAxon formula C36H36O18 ChemAxon inchi InChI=1S/C36H36O18/c37-13-22-26(42)29(45)31(47)35(52-22)50-19-8-4-16(5-9-19)33-34(28(44)25-20(40)11-18(39)12-21(25)51-33)54-36-32(48)30(46)27(43)23(53-36)14-49-24(41)10-3-15-1-6-17(38)7-2-15/h1-12,22-23,26-27,29-32,35-40,42-43,45-48H,13-14H2/b10-3+ ChemAxon inchikey GTTHRFWSXLOEPD-XCVCLJGOSA-N ChemAxon polar_surface_area 291.82 ChemAxon refractivity 180.99 ChemAxon polarizability 72.08 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 17 ChemAxon donor_count 10 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 781009 Specdb::CMs 781010 Specdb::CMs 781011 Specdb::CMs 781012 Specdb::CMs 781013 Specdb::CMs 781014 Specdb::CMs 781015 Specdb::CMs 781016 Specdb::CMs 781017 Specdb::CMs 781018 Specdb::CMs 781019 Specdb::CMs 781020 Specdb::CMs 781021 Specdb::CMs 781022 Specdb::CMs 781023 Specdb::CMs 781024 Specdb::CMs 781025 Specdb::CMs 781026 Specdb::CMs 781027 Specdb::CMs 781028 Specdb::MsMs 98619 Specdb::MsMs 98620 Specdb::MsMs 98621 Specdb::MsMs 163575 Specdb::MsMs 163576 Specdb::MsMs 163577 Specdb::MsMs 2285950 Specdb::MsMs 2285951 Specdb::MsMs 2285952 Specdb::MsMs 3083265 Specdb::MsMs 3083266 Specdb::MsMs 3083267 HMDB37437 #<Reference:0x000055ce3261ca78> Green vegetables Unknown generic Root vegetables Unknown generic