1.0 2010-04-08 22:12:07 UTC 2025-11-19 01:01:51 UTC FDB015904 Dimethyl 2-galloylgalactarate Constituent of the fruit of emblic (Phyllanthus emblica). Dimethyl 2-galloylgalactarate is found in fruits. 1,6-Dimethyl 2-galloylgalactarate Dimethyl 2-galloylgalactarate C15H18O12 390.2962 390.07982604 1,6-dimethyl 2,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)hexanedioate 1,6-dimethyl 2,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)hexanedioate COC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)OC InChI=1S/C15H18O12/c1-25-14(23)11(21)9(19)10(20)12(15(24)26-2)27-13(22)5-3-6(16)8(18)7(17)4-5/h3-4,9-12,16-21H,1-2H3 FUZPULBJXZQHRK-UHFFFAOYSA-N belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. Glucuronic acid derivatives Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzoyl derivatives Beta hydroxy acids and derivatives Carbonyl compounds Fatty acid esters Galloyl esters Hydrocarbon derivatives Methyl esters Monosaccharides Organic oxides Polyols Pyrogallols and derivatives Secondary alcohols Tricarboxylic acids and derivatives m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Aromatic homomonocyclic compound Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Beta-hydroxy acid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Gallic acid or derivatives Galloyl ester Glucuronic acid or derivatives Hydrocarbon derivative Hydroxy acid M-hydroxybenzoic acid ester Methyl ester Monocyclic benzene moiety Monosaccharide Organic oxide P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Polyol Pyrogallol derivative Secondary alcohol Tricarboxylic acid or derivatives logp -0.02 ALOGPS logs -1.84 ALOGPS solubility 5.67e+00 g/l ALOGPS logp -1.2 ChemAxon pka_strongest_acidic 8.1 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 1,6-dimethyl 2,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)hexanedioate ChemAxon average_mass 390.2962 ChemAxon mono_mass 390.07982604 ChemAxon smiles COC(=O)C(O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)OC ChemAxon formula C15H18O12 ChemAxon inchi InChI=1S/C15H18O12/c1-25-14(23)11(21)9(19)10(20)12(15(24)26-2)27-13(22)5-3-6(16)8(18)7(17)4-5/h3-4,9-12,16-21H,1-2H3 ChemAxon inchikey FUZPULBJXZQHRK-UHFFFAOYSA-N ChemAxon polar_surface_area 200.28 ChemAxon refractivity 83.44 ChemAxon polarizability 35.59 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25755 Specdb::CMs 45138 Specdb::CMs 172532 Specdb::NmrOneD 137510 Specdb::NmrOneD 137511 Specdb::NmrOneD 137512 Specdb::NmrOneD 137513 Specdb::NmrOneD 137514 Specdb::NmrOneD 137515 Specdb::NmrOneD 137516 Specdb::NmrOneD 137517 Specdb::NmrOneD 137518 Specdb::NmrOneD 137519 Specdb::NmrOneD 137520 Specdb::NmrOneD 137521 Specdb::NmrOneD 137522 Specdb::NmrOneD 137523 Specdb::NmrOneD 137524 Specdb::NmrOneD 137525 Specdb::NmrOneD 137526 Specdb::NmrOneD 137527 Specdb::NmrOneD 137528 Specdb::NmrOneD 137529 Specdb::MsMs 54264 Specdb::MsMs 54265 Specdb::MsMs 54266 Specdb::MsMs 136308 Specdb::MsMs 136309 Specdb::MsMs 136310 Specdb::MsMs 2750752 Specdb::MsMs 2750753 Specdb::MsMs 2750754 Specdb::MsMs 2927755 Specdb::MsMs 2927756 Specdb::MsMs 2927757 HMDB36935 #<Reference:0x000055ce3226e2f0> Fruits Unknown generic