1.0 2010-04-08 22:10:06 UTC 2019-11-26 03:06:33 UTC FDB012309 6-O-Acetylarbutin Constituent of the leaves of immature pear (Pyrus communis) and mountain cranberry (Vaccinium vitis-idaea). 6-O-Acetylarbutin is found in many foods, some of which are fruits, pear, pomes, and cereals and cereal products. 6-O-Acetylarbutin Pyroside C14H18O8 314.2879 314.100167552 [3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl acetate [3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl acetate 10338-88-2 CC(=O)OCC1OC(OC2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C14H18O8/c1-7(15)20-6-10-11(17)12(18)13(19)14(22-10)21-9-4-2-8(16)3-5-9/h2-5,10-14,16-19H,6H2,1H3 XABUTYXAHYMCDK-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 4-alkoxyphenols Acetals Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid 4-alkoxyphenol Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative 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 Secondary alcohol logp -0.59 ALOGPS logs -1.39 ALOGPS solubility 1.27e+01 g/l ALOGPS melting_point Mp 214-216° logp -0.46 ChemAxon pka_strongest_acidic 9.82 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac [3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl acetate ChemAxon average_mass 314.2879 ChemAxon mono_mass 314.100167552 ChemAxon smiles CC(=O)OCC1OC(OC2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C14H18O8 ChemAxon inchi InChI=1S/C14H18O8/c1-7(15)20-6-10-11(17)12(18)13(19)14(22-10)21-9-4-2-8(16)3-5-9/h2-5,10-14,16-19H,6H2,1H3 ChemAxon inchikey XABUTYXAHYMCDK-UHFFFAOYSA-N ChemAxon polar_surface_area 125.68 ChemAxon refractivity 71.32 ChemAxon polarizability 30.14 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21067 Specdb::CMs 43682 Specdb::CMs 136345 Specdb::CMs 144079 Specdb::MsMs 7421 Specdb::MsMs 7422 Specdb::MsMs 7423 Specdb::MsMs 14093 Specdb::MsMs 14094 Specdb::MsMs 14095 Specdb::MsMs 2793707 Specdb::MsMs 2793708 Specdb::MsMs 2793709 Specdb::MsMs 2884919 Specdb::MsMs 2884920 Specdb::MsMs 2884921 Specdb::NmrOneD 124198 Specdb::NmrOneD 124199 Specdb::NmrOneD 124200 Specdb::NmrOneD 124201 Specdb::NmrOneD 124202 Specdb::NmrOneD 124203 Specdb::NmrOneD 124204 Specdb::NmrOneD 124205 Specdb::NmrOneD 124206 Specdb::NmrOneD 124207 Specdb::NmrOneD 124208 Specdb::NmrOneD 124209 Specdb::NmrOneD 124210 Specdb::NmrOneD 124211 Specdb::NmrOneD 124212 Specdb::NmrOneD 124213 Specdb::NmrOneD 124214 Specdb::NmrOneD 124215 Specdb::NmrOneD 124216 Specdb::NmrOneD 124217 HMDB34060 #<Reference:0x000055ce3166cd80> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Fruits Unknown generic Pear Type 1 specific Pyrus communis 23211 Pomes Unknown generic