1.0 2010-04-08 22:07:30 UTC 2019-11-26 03:01:33 UTC FDB007220 Orsellinic acid 2-O-beta-D-glucoside Orsellinic acid 2-o-beta-d-glucoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides 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. Orsellinic acid 2-o-beta-d-glucoside is soluble (in water) and a weakly acidic compound (based on its pKa). Orsellinic acid 2-o-beta-d-glucoside can be found in cloves, which makes orsellinic acid 2-o-beta-d-glucoside a potential biomarker for the consumption of this food product. C14H18O9 330.2873 330.095082174 4-hydroxy-2-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid 4-hydroxy-2-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid CC1=CC(O)=CC(OC2OC(CO)C(O)C(O)C2O)=C1C(O)=O InChI=1S/C14H18O9/c1-5-2-6(16)3-7(9(5)13(20)21)22-14-12(19)11(18)10(17)8(4-15)23-14/h2-3,8,10-12,14-19H,4H2,1H3,(H,20,21) AQLSLUZPCXWYQZ-UHFFFAOYSA-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 Acetals Benzoic acids Benzoyl derivatives Carboxylic acids Hexoses Hydrocarbon derivatives Hydroxybenzoic acid derivatives Meta cresols Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Primary alcohols Secondary alcohols Sugar acids and derivatives Toluenes 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Benzoic acid Benzoic acid or derivatives Benzoyl Carboxylic acid Carboxylic acid derivative Hexose monosaccharide Hydrocarbon derivative Hydroxybenzoic acid M-cresol 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 Secondary alcohol Sugar acid Toluene logp -0.65 ALOGPS logs -1.40 ALOGPS solubility 1.31e+01 g/l ALOGPS logp -0.73 ChemAxon pka_strongest_acidic 3.86 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4-hydroxy-2-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid ChemAxon average_mass 330.2873 ChemAxon mono_mass 330.095082174 ChemAxon smiles CC1=CC(O)=CC(OC2OC(CO)C(O)C(O)C2O)=C1C(O)=O ChemAxon formula C14H18O9 ChemAxon inchi InChI=1S/C14H18O9/c1-5-2-6(16)3-7(9(5)13(20)21)22-14-12(19)11(18)10(17)8(4-15)23-14/h2-3,8,10-12,14-19H,4H2,1H3,(H,20,21) ChemAxon inchikey AQLSLUZPCXWYQZ-UHFFFAOYSA-N ChemAxon polar_surface_area 156.91 ChemAxon refractivity 74.46 ChemAxon polarizability 30.86 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 82356 Specdb::MsMs 82357 Specdb::MsMs 82358 Specdb::MsMs 143700 Specdb::MsMs 143701 Specdb::MsMs 143702 Specdb::MsMs 3603797 Specdb::MsMs 3603798 Specdb::MsMs 3603799 Specdb::MsMs 3603800 Specdb::MsMs 3603801 Specdb::MsMs 3603802 Cloves Type 1 specific Syzygium aromaticum 219868