1.0 2010-04-08 22:14:00 UTC 2019-11-26 03:16:52 UTC FDB018896 (E)-Resveratrol 4'-(2''-galloylglucoside) Isolated from commercial rhubarbs (Rheum subspecies). (E)-Resveratrol 4'-(2''-galloylglucoside) is found in green vegetables. (E)-Resveratrol 4'-(2''-galloylglucoside) 3,4',5-tohs-2''-gglc Resveratrol 4'-(2-galloylglucoside) C27H26O12 542.4881 542.142426296 2-{4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate 2-{4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate 105304-51-6 OCC1OC(OC2=CC=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O InChI=1S/C27H26O12/c28-12-21-23(34)24(35)25(39-26(36)15-9-19(31)22(33)20(32)10-15)27(38-21)37-18-5-3-13(4-6-18)1-2-14-7-16(29)11-17(30)8-14/h1-11,21,23-25,27-35H,12H2/b2-1- MKFHDMUYMGGIRI-UPHRSURJSA-N belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). Depsides and depsidones Organic compounds Phenylpropanoids and polyketides Depsides and depsidones Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alpha hydroxy acids and derivatives Benzoyl derivatives Carbonyl compounds Carboxylic acid esters Carboxylic acids Cyclohexanols Galloyl esters Hydrocarbon derivatives Organic oxides Pentacarboxylic acids and derivatives Phenol esters Phenoxy compounds Polyols Pyrogallols and derivatives Quinic acids and derivatives Resorcinols Tertiary alcohols m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Alpha-hydroxy acid Aromatic homomonocyclic compound Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Cyclitol or derivatives Cyclohexanol Depside backbone Gallic acid or derivatives Galloyl ester Hydrocarbon derivative Hydroxy acid M-hydroxybenzoic acid ester Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Pentacarboxylic acid or derivatives Phenol Phenol ester Phenoxy compound Polyol Pyrogallol derivative Quinic acid Resorcinol Tertiary alcohol logp 2.24 ALOGPS logs -3.41 ALOGPS solubility 2.10e-01 g/l ALOGPS logp 2.72 ChemAxon pka_strongest_acidic 8.06 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate ChemAxon average_mass 542.4881 ChemAxon mono_mass 542.142426296 ChemAxon smiles OCC1OC(OC2=CC=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O ChemAxon formula C27H26O12 ChemAxon inchi InChI=1S/C27H26O12/c28-12-21-23(34)24(35)25(39-26(36)15-9-19(31)22(33)20(32)10-15)27(38-21)37-18-5-3-13(4-6-18)1-2-14-7-16(29)11-17(30)8-14/h1-11,21,23-25,27-35H,12H2/b2-1- ChemAxon inchikey MKFHDMUYMGGIRI-UPHRSURJSA-N ChemAxon polar_surface_area 206.6 ChemAxon refractivity 135.36 ChemAxon polarizability 53.38 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 69921 Specdb::MsMs 69922 Specdb::MsMs 69923 Specdb::MsMs 128307 Specdb::MsMs 128308 Specdb::MsMs 128309 Specdb::MsMs 2391109 Specdb::MsMs 2391110 Specdb::MsMs 2391111 Specdb::MsMs 2575456 Specdb::MsMs 2575457 Specdb::MsMs 2575458 Specdb::CMs 13932 Specdb::CMs 46371 Specdb::CMs 269744 Specdb::CMs 269745 Specdb::CMs 269746 Specdb::CMs 269747 Specdb::CMs 269748 Specdb::CMs 269749 Specdb::CMs 269750 Specdb::CMs 269751 Specdb::CMs 269752 Specdb::CMs 269753 Specdb::CMs 269754 Specdb::CMs 269755 Specdb::CMs 269756 Specdb::CMs 269757 Specdb::CMs 269758 Specdb::CMs 269759 Specdb::CMs 269760 Specdb::CMs 269761 Specdb::CMs 269762 Specdb::CMs 269763 Specdb::CMs 269764 Specdb::CMs 269765 Specdb::CMs 269766 HMDB39341 #<Reference:0x000055ce2ec35da0> Green vegetables Unknown generic