1.0 2011-03-17 23:28:18 UTC 2019-11-26 03:20:49 UTC FDB021732 Gallic acid 4-glucoside Isolated from commercial rhubarb (Rheum subspecies) and the fruit of Arbutus unedo [CCD]. Gallic acid 4-glucoside is found in many foods, some of which are gooseberry, strawberry, blackcurrant, and jostaberry. 3,4,5-Trihydroxybenzoic acid; 4-O-b-D-Glucopyranoside Gallic acid 4-glucoside Gallic acid 4-O-glucoside C13H16O10 332.261 332.074346715 3,5-dihydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid 3,5-dihydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid [H][C@]1(CO)O[C@@]([H])(OC2=C(O)C=C(C=C2O)C(O)=O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O InChI=1S/C13H16O10/c14-3-7-8(17)9(18)10(19)13(22-7)23-11-5(15)1-4(12(20)21)2-6(11)16/h1-2,7-10,13-19H,3H2,(H,20,21)/t7-,8-,9+,10-,13+/m1/s1 YPSNWSNUXIIKHO-YANYRWCTSA-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-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Benzoic acids Benzoyl derivatives Carboxylic acids Gallic acid and derivatives Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Primary alcohols Resorcinols 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 Gallic acid or derivatives Hexose monosaccharide Hydrocarbon derivative Hydroxybenzoic acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Resorcinol Secondary alcohol Sugar acid logp -1.10 ALOGPS logs -1.21 ALOGPS solubility 2.04e+01 g/l ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 3.88 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3,5-dihydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid ChemAxon average_mass 332.261 ChemAxon mono_mass 332.074346715 ChemAxon smiles [H][C@]1(CO)O[C@@]([H])(OC2=C(O)C=C(C=C2O)C(O)=O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O ChemAxon formula C13H16O10 ChemAxon inchi InChI=1S/C13H16O10/c14-3-7-8(17)9(18)10(19)13(22-7)23-11-5(15)1-4(12(20)21)2-6(11)16/h1-2,7-10,13-19H,3H2,(H,20,21)/t7-,8-,9+,10-,13+/m1/s1 ChemAxon inchikey YPSNWSNUXIIKHO-YANYRWCTSA-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::NmrOneD 47722 Specdb::NmrOneD 47723 Specdb::NmrOneD 47724 Specdb::NmrOneD 47725 Specdb::NmrOneD 47726 Specdb::NmrOneD 47727 Specdb::NmrOneD 47728 Specdb::NmrOneD 47729 Specdb::NmrOneD 47730 Specdb::NmrOneD 47731 Specdb::NmrOneD 47732 Specdb::NmrOneD 47733 Specdb::NmrOneD 47734 Specdb::NmrOneD 47735 Specdb::NmrOneD 47736 Specdb::NmrOneD 47737 Specdb::NmrOneD 47738 Specdb::NmrOneD 47739 Specdb::NmrOneD 47740 Specdb::NmrOneD 47741 Specdb::CMs 22773 Specdb::CMs 47402 Specdb::CMs 147828 Specdb::CMs 147830 Specdb::CMs 147832 Specdb::CMs 147834 Specdb::CMs 147836 Specdb::CMs 147837 Specdb::CMs 147840 Specdb::CMs 147842 Specdb::CMs 147844 Specdb::CMs 162995 Specdb::CMs 279642 Specdb::MsMs 240502 Specdb::MsMs 240503 Specdb::MsMs 240504 Specdb::MsMs 242557 Specdb::MsMs 242558 Specdb::MsMs 242559 Specdb::MsMs 2334268 Specdb::MsMs 2334269 Specdb::MsMs 2334270 Specdb::MsMs 2627540 Specdb::MsMs 2627541 Specdb::MsMs 2627542 HMDB41593 #<Reference:0x000055ce33094b68> Blackcurrant Type 1 specific Ribes nigrum 78511 0.1 0.100000004 0.100000004 mg/100 g Gooseberry Type 1 specific Ribes uva-crispa 135518 0.0 0.0 0.0 mg/100 g Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 0.5 0.5 0.5 mg/100 g Jostaberry Type 1 specific Ribes × nidigrolaria 0.0 0.0 0.0 mg/100 g Redcurrant Type 1 specific Ribes rubrum 175228 0.0 0.0 0.0 mg/100 g Rubus (Blackberry, Raspberry) Type 1 specific Rubus 23216 0.0 0.0 0.0 mg/100 g Strawberry Type 1 specific Fragaria X ananassa 3747 0.0 0.0 0.0 mg/100 g