1.0 2010-04-08 22:13:40 UTC 2019-11-26 03:16:05 UTC FDB018376 4-Glucosyl gallate Constituent of the leaves of Macaranga tanarius [CCD]. 4-Glucosyl gallate is found in green vegetables. 4-Glucosyl gallate C13H16O10 332.2601 332.074346732 4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate 4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate 84274-52-2 OCC1OC(O)C(O)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1 InChI=1S/C13H16O10/c14-3-7-11(9(18)10(19)13(21)22-7)23-12(20)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-19,21H,3H2 IIXWHYFHBRXWOP-UHFFFAOYSA-N belongs to the class of organic compounds known as tannins. These are naturally occurring polyphenols which be categorized into four main classes: hydrolyzable tannin (based on ellagic acid or gallic acid), condensed tannins (made of oligomeric or polymeric proanthocyanidins), complex tannins (made of a catechin bound to a gallotannin or elagitannin), and phlorotannins (oligomers of phloroglucinol). Tannins Organic compounds Phenylpropanoids and polyketides Tannins Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzoyl derivatives Carboxylic acid esters Galloyl esters Hemiacetals Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyrogallols and derivatives Secondary alcohols m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Aromatic heteromonocyclic compound Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carboxylic acid derivative Carboxylic acid ester Gallic acid or derivatives Galloyl ester Hemiacetal Hexose monosaccharide Hydrocarbon derivative M-hydroxybenzoic acid ester Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Polyol Primary alcohol Pyrogallol derivative Secondary alcohol Tannin Solid logp -1.26 ALOGPS logs -1.17 ALOGPS solubility 2.22e+01 g/l ALOGPS melting_point Mp 233° (192-194°) logp -1.3 ChemAxon pka_strongest_acidic 8.1 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate ChemAxon average_mass 332.2601 ChemAxon mono_mass 332.074346732 ChemAxon smiles OCC1OC(O)C(O)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1 ChemAxon formula C13H16O10 ChemAxon inchi InChI=1S/C13H16O10/c14-3-7-11(9(18)10(19)13(21)22-7)23-12(20)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-19,21H,3H2 ChemAxon inchikey IIXWHYFHBRXWOP-UHFFFAOYSA-N ChemAxon polar_surface_area 177.14 ChemAxon refractivity 71.69 ChemAxon polarizability 30.45 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 48360 Specdb::MsMs 48361 Specdb::MsMs 48362 Specdb::MsMs 127737 Specdb::MsMs 127738 Specdb::MsMs 127739 Specdb::MsMs 2325627 Specdb::MsMs 2325628 Specdb::MsMs 2325629 Specdb::MsMs 2610545 Specdb::MsMs 2610546 Specdb::MsMs 2610547 Specdb::CMs 21787 Specdb::CMs 46143 Specdb::CMs 165614 Specdb::NmrOneD 30002 Specdb::NmrOneD 30003 Specdb::NmrOneD 30004 Specdb::NmrOneD 30005 Specdb::NmrOneD 30006 Specdb::NmrOneD 30007 Specdb::NmrOneD 30008 Specdb::NmrOneD 30009 Specdb::NmrOneD 30010 Specdb::NmrOneD 30011 Specdb::NmrOneD 30012 Specdb::NmrOneD 30013 Specdb::NmrOneD 30014 Specdb::NmrOneD 30015 Specdb::NmrOneD 30016 Specdb::NmrOneD 30017 Specdb::NmrOneD 30018 Specdb::NmrOneD 30019 Specdb::NmrOneD 30020 Specdb::NmrOneD 30021 HMDB38912 #<Reference:0x000055ce32779b78> Green vegetables Unknown generic