1.0 2010-04-08 22:13:59 UTC 2019-11-26 03:16:49 UTC FDB018863 4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-cinnamoylglucoside] Isolated from commercial rhubarb. 4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-cinnamoylglucoside] is found in green vegetables. 1-(3,4-Dimethoxyphenyl)-2,3-propanediol 3-(3,4-Dimethoxyphenyl)-1,2-propanediol 4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-cinnamoylglucoside] 4-(4-Hydroxyphenyl)-2-butanone O-[3,4,5-trihydroxybenzoyl-(->2)-6-O-cinnamoyl-b-D-glucopyranoside] 4-(4-Hydroxyphenyl)-2-butanone O-[3,4,5-trihydroxybenzoyl-(->2)-6-O-cinnamoyl-b-D-glucoside] Methyl eugenol glycol Rheosmine O-[2-galloyl-6-cinnamoylglucoside] C32H32O12 608.5893 608.189376488 4,5-dihydroxy-2-[4-(3-oxobutyl)phenoxy]-6-({[(2E)-3-phenylprop-2-enoyl]oxy}methyl)oxan-3-yl 3,4,5-trihydroxybenzoate 4,5-dihydroxy-2-[4-(3-oxobutyl)phenoxy]-6-({[(2E)-3-phenylprop-2-enoyl]oxy}methyl)oxan-3-yl 3,4,5-trihydroxybenzoate 105274-15-5 CC(=O)CCC1=CC=C(OC2OC(COC(=O)\C=C\C3=CC=CC=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1 InChI=1S/C32H32O12/c1-18(33)7-8-20-9-12-22(13-10-20)42-32-30(44-31(40)21-15-23(34)27(37)24(35)16-21)29(39)28(38)25(43-32)17-41-26(36)14-11-19-5-3-2-4-6-19/h2-6,9-16,25,28-30,32,34-35,37-39H,7-8,17H2,1H3/b14-11+ AHLBWJHZDLMJOJ-SDNWHVSQSA-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 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 Dicarboxylic acid or derivatives Enoate ester Fatty acid ester Fatty acyl Gallic acid or derivatives Galloyl ester Hydrocarbon derivative 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 4.00 ALOGPS logs -4.30 ALOGPS solubility 3.02e-02 g/l ALOGPS melting_point Mp 125-127° logp 4.43 ChemAxon pka_strongest_acidic 8.1 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 4,5-dihydroxy-2-[4-(3-oxobutyl)phenoxy]-6-({[(2E)-3-phenylprop-2-enoyl]oxy}methyl)oxan-3-yl 3,4,5-trihydroxybenzoate ChemAxon average_mass 608.5893 ChemAxon mono_mass 608.189376488 ChemAxon smiles CC(=O)CCC1=CC=C(OC2OC(COC(=O)\C=C\C3=CC=CC=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1 ChemAxon formula C32H32O12 ChemAxon inchi InChI=1S/C32H32O12/c1-18(33)7-8-20-9-12-22(13-10-20)42-32-30(44-31(40)21-15-23(34)27(37)24(35)16-21)29(39)28(38)25(43-32)17-41-26(36)14-11-19-5-3-2-4-6-19/h2-6,9-16,25,28-30,32,34-35,37-39H,7-8,17H2,1H3/b14-11+ ChemAxon inchikey AHLBWJHZDLMJOJ-SDNWHVSQSA-N ChemAxon polar_surface_area 189.28 ChemAxon refractivity 154.98 ChemAxon polarizability 62.35 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 10 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23055 Specdb::CMs 46355 Specdb::CMs 495108 Specdb::CMs 495109 Specdb::CMs 495110 Specdb::CMs 495111 Specdb::CMs 495112 Specdb::CMs 495113 Specdb::CMs 495114 Specdb::CMs 495115 Specdb::CMs 495116 Specdb::CMs 495117 Specdb::CMs 495118 Specdb::CMs 495119 Specdb::CMs 495120 Specdb::CMs 495121 Specdb::CMs 495122 Specdb::CMs 495123 Specdb::CMs 495124 Specdb::CMs 495125 Specdb::CMs 495126 Specdb::CMs 495127 Specdb::CMs 495128 Specdb::CMs 495129 Specdb::CMs 495130 Specdb::MsMs 98322 Specdb::MsMs 98323 Specdb::MsMs 98324 Specdb::MsMs 163218 Specdb::MsMs 163219 Specdb::MsMs 163220 Specdb::MsMs 2376005 Specdb::MsMs 2376006 Specdb::MsMs 2376007 Specdb::MsMs 2560125 Specdb::MsMs 2560126 Specdb::MsMs 2560127 HMDB39313 #<Reference:0x000055ce32342d48> Green vegetables Unknown generic