1.0 2010-04-08 22:05:08 UTC 2019-11-26 02:56:41 UTC FDB001848 1-O-Feruloyl-beta-D-glucopyranose 1-o-feruloyl-beta-d-glucopyranose is a member of the class of compounds known as hydroxycinnamic acid glycosides. Hydroxycinnamic acid glycosides are glycosylated hydoxycinnamic acids derivatives. 1-o-feruloyl-beta-d-glucopyranose is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 1-o-feruloyl-beta-d-glucopyranose can be found in loquat, which makes 1-o-feruloyl-beta-d-glucopyranose a potential biomarker for the consumption of this food product. C16H20O9 356.3246 356.110732238 (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate 205254-22-4 COC1=CC=C(\C=C\C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O InChI=1S/C16H20O9/c1-23-10-4-2-8(6-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16+/m1/s1 RFTKPXQZIVKVOP-PMQCXRHVSA-N belongs to the class of organic compounds known as hydroxycinnamic acid glycosides. These are glycosylated hydoxycinnamic acids derivatives. Hydroxycinnamic acid glycosides Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Alkyl aryl ethers Anisoles Carbonyl compounds Coumaric acids and derivatives Enoate esters Fatty acid esters Hexoses Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives O-cinnamoyl glycosides Organic oxides Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Secondary alcohols Styrenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Alkyl aryl ether Alpha,beta-unsaturated carboxylic ester Anisole Aromatic heteromonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Coumaric acid or derivatives Enoate ester Ether Fatty acid ester Fatty acyl Hexose monosaccharide Hydrocarbon derivative Hydroxycinnamic acid glycoside Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-cinnamoyl glycoside Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenoxy compound Polyol Primary alcohol Secondary alcohol Styrene logp -0.45 ALOGPS logs -1.78 ALOGPS solubility 5.96e+00 g/l ALOGPS logp -0.36 ChemAxon pka_strongest_acidic 9.82 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate ChemAxon average_mass 356.3246 ChemAxon mono_mass 356.110732238 ChemAxon smiles COC1=CC=C(\C=C\C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O ChemAxon formula C16H20O9 ChemAxon inchi InChI=1S/C16H20O9/c1-23-10-4-2-8(6-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16+/m1/s1 ChemAxon inchikey RFTKPXQZIVKVOP-PMQCXRHVSA-N ChemAxon polar_surface_area 145.91 ChemAxon refractivity 83.94 ChemAxon polarizability 35.22 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 62289 Specdb::MsMs 62290 Specdb::MsMs 62291 Specdb::MsMs 118983 Specdb::MsMs 118984 Specdb::MsMs 118985 Specdb::MsMs 3598744 Specdb::MsMs 3598745 Specdb::MsMs 3598746 Specdb::MsMs 3598747 Specdb::MsMs 3598748 Specdb::MsMs 3598749 Loquat Type 1 specific Eriobotrya japonica 32224