1.0 2010-04-08 22:07:37 UTC 2025-11-18 23:04:52 UTC FDB007460 Monotropeoside Monotropeoside 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. Monotropeoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Monotropeoside can be found in bilberry, which makes monotropeoside a potential biomarker for the consumption of this food product. C19H26O12 446.405 446.142426277 methyl 2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoate methyl 2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoate [H][C@@]1(O)CO[C@@]([H])(OC[C@@]2([H])O[C@@]([H])(OC3=CC=CC=C3C(=O)OC)[C@]([H])(O)[C@@]([H])(O)[C@]2([H])O)[C@]([H])(O)[C@@]1([H])O InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1 VHUNCYDAXJGCLO-AHMNSWSSSA-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 Acetals Benzoic acid esters Benzoyl derivatives Disaccharides Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Secondary alcohols Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carboxylic acid derivative Carboxylic acid ester Disaccharide Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Monocyclic benzene moiety O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Secondary alcohol logp -1.22 ALOGPS logs -1.46 ALOGPS solubility 1.54e+01 g/l ALOGPS logp -1.7 ChemAxon pka_strongest_acidic 11.92 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac methyl 2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoate ChemAxon average_mass 446.405 ChemAxon mono_mass 446.142426277 ChemAxon smiles [H][C@@]1(O)CO[C@@]([H])(OC[C@@]2([H])O[C@@]([H])(OC3=CC=CC=C3C(=O)OC)[C@]([H])(O)[C@@]([H])(O)[C@]2([H])O)[C@]([H])(O)[C@@]1([H])O ChemAxon formula C19H26O12 ChemAxon inchi InChI=1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1 ChemAxon inchikey VHUNCYDAXJGCLO-AHMNSWSSSA-N ChemAxon polar_surface_area 184.6 ChemAxon refractivity 98.66 ChemAxon polarizability 42.24 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 56643 Specdb::MsMs 56644 Specdb::MsMs 56645 Specdb::MsMs 112110 Specdb::MsMs 112111 Specdb::MsMs 112112 Specdb::MsMs 3604046 Specdb::MsMs 3604047 Specdb::MsMs 3604048 Specdb::MsMs 3604049 Specdb::MsMs 3604050 Specdb::MsMs 3604051 Bilberry Type 1 specific Vaccinium myrtillus 180763