1.0 2010-04-08 22:15:28 UTC 2025-11-19 02:35:29 UTC FDB021088 4'-O-Glucopyranosylsinapic acid 4'-o-glucopyranosylsinapic acid 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. 4'-o-glucopyranosylsinapic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 4'-o-glucopyranosylsinapic acid can be found in a number of food items such as green bell pepper, red bell pepper, italian sweet red pepper, and yellow bell pepper, which makes 4'-o-glucopyranosylsinapic acid a potential biomarker for the consumption of these food products. 4'-O-Glucopyranosylsinapic acid trans-p-Sinapoyl beta-D-glucopyranoside C17H22O10 386.3506 386.121296924 (2E)-3-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid (2E)-3-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid 117405-52-4 COC1=CC(\C=C\C(O)=O)=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+ KKLWTTVTWMTNBP-ONEGZZNKSA-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 Alkyl aryl ethers Anisoles Carbonyl compounds Carboxylic acids Cinnamic acids Coumaric acids and derivatives Dimethoxybenzenes Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Secondary alcohols Styrenes Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Cinnamic acid Cinnamic acid or derivatives Coumaric acid or derivatives Dimethoxybenzene Ether Hexose monosaccharide Hydrocarbon derivative M-dimethoxybenzene Methoxybenzene Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol Styrene logp -0.29 ALOGPS logs -2.14 ALOGPS solubility 2.83e+00 g/l ALOGPS logp -0.75 ChemAxon pka_strongest_acidic 3.46 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2E)-3-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid ChemAxon average_mass 386.3506 ChemAxon mono_mass 386.121296924 ChemAxon smiles COC1=CC(\C=C\C(O)=O)=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O ChemAxon formula C17H22O10 ChemAxon inchi InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+ ChemAxon inchikey KKLWTTVTWMTNBP-ONEGZZNKSA-N ChemAxon polar_surface_area 155.14 ChemAxon refractivity 90.11 ChemAxon polarizability 37.54 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 10 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1263859 Specdb::MsMs 1263860 Specdb::MsMs 1263861 Specdb::MsMs 1378942 Specdb::MsMs 1378943 Specdb::MsMs 1378944 Specdb::MsMs 3606616 Specdb::MsMs 3606617 Specdb::MsMs 3606618 Specdb::MsMs 3606619 Specdb::MsMs 3606620 Specdb::MsMs 3606621 Green bell pepper Type 1 specific Capsicum annuum 4072 Italian sweet red pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 Pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072