1.0 2010-04-08 22:13:59 UTC 2019-11-26 03:16:50 UTC FDB018875 Gallic acid 3-glucoside Isolated from commercial rhubarb (Rheum subspecies). Gallic acid 3-glucoside is found in green vegetables. 3-Glucogallic acid Gallic acid 3-glucoside Gallic acid 3-O-glucoside C13H16O10 332.2601 332.074346732 3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid 3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid 91984-84-8 OCC1OC(OC2=CC(=CC(O)=C2O)C(O)=O)C(O)C(O)C1O InChI=1S/C13H16O10/c14-3-7-9(17)10(18)11(19)13(23-7)22-6-2-4(12(20)21)1-5(15)8(6)16/h1-2,7,9-11,13-19H,3H2,(H,20,21) XRCRYNCPNYQMOB-UHFFFAOYSA-N belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Hydrolyzable tannins Organic compounds Phenylpropanoids and polyketides Tannins Hydrolyzable tannins Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Benzoic acids Benzoyl derivatives Carboxylic acids Catechols Gallic acid and derivatives Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Secondary alcohols Sugar acids and derivatives 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Benzoic acid Benzoic acid or derivatives Benzoyl Carboxylic acid Carboxylic acid derivative Catechol Dihydroxybenzoic acid Gallic acid or derivatives Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydrolyzable tannin Hydroxybenzoic acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol Sugar acid logp -1.08 ALOGPS logs -1.22 ALOGPS solubility 1.99e+01 g/l ALOGPS melting_point Mp 244-245° logp -1.5 ChemAxon pka_strongest_acidic 3.93 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid ChemAxon average_mass 332.2601 ChemAxon mono_mass 332.074346732 ChemAxon smiles OCC1OC(OC2=CC(=CC(O)=C2O)C(O)=O)C(O)C(O)C1O ChemAxon formula C13H16O10 ChemAxon inchi InChI=1S/C13H16O10/c14-3-7-9(17)10(18)11(19)13(23-7)22-6-2-4(12(20)21)1-5(15)8(6)16/h1-2,7,9-11,13-19H,3H2,(H,20,21) ChemAxon inchikey XRCRYNCPNYQMOB-UHFFFAOYSA-N ChemAxon polar_surface_area 177.14 ChemAxon refractivity 71.4 ChemAxon polarizability 29.94 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25832 Specdb::CMs 46360 Specdb::CMs 147818 Specdb::CMs 147820 Specdb::CMs 147822 Specdb::CMs 147824 Specdb::CMs 147826 Specdb::CMs 164671 Specdb::CMs 279641 Specdb::NmrOneD 32262 Specdb::NmrOneD 32263 Specdb::NmrOneD 32264 Specdb::NmrOneD 32265 Specdb::NmrOneD 32266 Specdb::NmrOneD 32267 Specdb::NmrOneD 32268 Specdb::NmrOneD 32269 Specdb::NmrOneD 32270 Specdb::NmrOneD 32271 Specdb::NmrOneD 32272 Specdb::NmrOneD 32273 Specdb::NmrOneD 32274 Specdb::NmrOneD 32275 Specdb::NmrOneD 32276 Specdb::NmrOneD 32277 Specdb::NmrOneD 32278 Specdb::NmrOneD 32279 Specdb::NmrOneD 32280 Specdb::NmrOneD 32281 Specdb::MsMs 99465 Specdb::MsMs 99466 Specdb::MsMs 99467 Specdb::MsMs 164604 Specdb::MsMs 164605 Specdb::MsMs 164606 Specdb::MsMs 3047026 Specdb::MsMs 3047027 Specdb::MsMs 3047028 Specdb::MsMs 3096856 Specdb::MsMs 3096857 Specdb::MsMs 3096858 HMDB39322 #<Reference:0x000055ce31903a30> Green vegetables Unknown generic