1.0 2010-04-08 22:13:59 UTC 2019-11-26 03:16:49 UTC FDB018865 4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-p-coumaroylglucoside] Isolated from commercial rhubarbs. 4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-p-coumaroylglucoside] is found in green vegetables. 4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-p-coumaroylglucoside] 4-(4-Hydroxyphenyl)-2-butanone O-[4-hydroxy-E-cinnamoyl-(->6)-[3,4,5-trihydroxybenzoyl-(->2)]-b-D-glucoide] 4-(4-Hydroxyphenyl)-2-butanone O-[4-hydroxy-E-cinnamoyl-(->6)-[3,4,5-trihydroxybenzoyl-(->2)]-b-D-glucopyranoside] Rheosmine O-[2-galloyl-6-p-coumaroylglucoside] C32H32O13 624.5887 624.18429111 4,5-dihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-2-[4-(3-oxobutyl)phenoxy]oxan-3-yl 3,4,5-trihydroxybenzoate 4,5-dihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-2-[4-(3-oxobutyl)phenoxy]oxan-3-yl 3,4,5-trihydroxybenzoate 105274-16-6 CC(=O)CCC1=CC=C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1 InChI=1S/C32H32O13/c1-17(33)2-3-18-6-11-22(12-7-18)43-32-30(45-31(41)20-14-23(35)27(38)24(36)15-20)29(40)28(39)25(44-32)16-42-26(37)13-8-19-4-9-21(34)10-5-19/h4-15,25,28-30,32,34-36,38-40H,2-3,16H2,1H3/b13-8+ QIEOAEKNEKYVTH-MDWZMJQESA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds 1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Benzoyl derivatives Cinnamic acid esters Coumaric acid esters Coumaric acids and derivatives Dicarboxylic acids and derivatives Enoate esters Fatty acid esters Galloyl esters Hydrocarbon derivatives Ketones Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Pyrogallols and derivatives Secondary alcohols Styrenes m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1,2-diol 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Alpha,beta-unsaturated carboxylic ester Aromatic heteromonocyclic compound Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid ester Coumaric acid or derivatives Dicarboxylic acid or derivatives Enoate ester Fatty acid ester Fatty acyl Gallic acid or derivatives Galloyl ester Hydrocarbon derivative Hydroxycinnamic acid or derivatives Ketone M-hydroxybenzoic acid ester Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Pyrogallol derivative Secondary alcohol Styrene logp 3.87 ALOGPS logs -4.17 ALOGPS solubility 4.26e-02 g/l ALOGPS melting_point Mp 134-136° logp 4.13 ChemAxon pka_strongest_acidic 8.08 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 4,5-dihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-2-[4-(3-oxobutyl)phenoxy]oxan-3-yl 3,4,5-trihydroxybenzoate ChemAxon average_mass 624.5887 ChemAxon mono_mass 624.18429111 ChemAxon smiles CC(=O)CCC1=CC=C(OC2OC(COC(=O)\C=C\C3=CC=C(O)C=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1 ChemAxon formula C32H32O13 ChemAxon inchi InChI=1S/C32H32O13/c1-17(33)2-3-18-6-11-22(12-7-18)43-32-30(45-31(41)20-14-23(35)27(38)24(36)15-20)29(40)28(39)25(44-32)16-42-26(37)13-8-19-4-9-21(34)10-5-19/h4-15,25,28-30,32,34-36,38-40H,2-3,16H2,1H3/b13-8+ ChemAxon inchikey QIEOAEKNEKYVTH-MDWZMJQESA-N ChemAxon polar_surface_area 209.51 ChemAxon refractivity 156.96 ChemAxon polarizability 63.37 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12204 Specdb::CMs 46356 Specdb::CMs 560296 Specdb::CMs 560297 Specdb::CMs 560298 Specdb::CMs 560299 Specdb::CMs 560300 Specdb::CMs 560301 Specdb::CMs 560302 Specdb::CMs 560303 Specdb::CMs 560304 Specdb::CMs 560305 Specdb::CMs 560306 Specdb::CMs 560307 Specdb::CMs 560308 Specdb::CMs 560309 Specdb::CMs 560310 Specdb::CMs 560311 Specdb::CMs 560312 Specdb::CMs 560313 Specdb::CMs 560314 Specdb::CMs 560315 Specdb::CMs 560316 Specdb::CMs 560317 Specdb::CMs 560318 Specdb::MsMs 76302 Specdb::MsMs 76303 Specdb::MsMs 76304 Specdb::MsMs 136101 Specdb::MsMs 136102 Specdb::MsMs 136103 Specdb::MsMs 3045796 Specdb::MsMs 3045797 Specdb::MsMs 3045798 Specdb::MsMs 3093886 Specdb::MsMs 3093887 Specdb::MsMs 3093888 HMDB39315 #<Reference:0x000055ce32d16e50> Green vegetables Unknown generic