1.0 2010-04-08 22:04:48 UTC 2025-11-18 22:27:27 UTC FDB001030 2-Phenylethyl beta-D-glucopyranoside Isolated from and Citrus unshiu (satsuma mandarin). 2-Phenylethyl beta-D-glucopyranoside is found in caraway and citrus. C14H20O6 284.305 284.125988372 2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4,5-triol 2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4,5-triol 18997-54-1 OCC1OC(OCCC2=CC=CC=C2)C(O)C(O)C1O InChI=1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2 MLRIJUWUQTVDQE-UHFFFAOYSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds Acetals Benzene and substituted derivatives Hexoses Hydrocarbon derivatives Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Hexose monosaccharide Hydrocarbon derivative Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -0.41 ALOGPS logs -1.23 ALOGPS solubility 1.66e+01 g/l ALOGPS melting_point Mp 38-39° logp -0.28 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4,5-triol ChemAxon average_mass 284.305 ChemAxon mono_mass 284.125988372 ChemAxon smiles OCC1OC(OCCC2=CC=CC=C2)C(O)C(O)C1O ChemAxon formula C14H20O6 ChemAxon inchi InChI=1S/C14H20O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2 ChemAxon inchikey MLRIJUWUQTVDQE-UHFFFAOYSA-N ChemAxon polar_surface_area 99.38 ChemAxon refractivity 70.04 ChemAxon polarizability 29.28 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17218 Specdb::CMs 41569 Specdb::CMs 136996 Specdb::CMs 144730 Specdb::MsMs 67287 Specdb::MsMs 67288 Specdb::MsMs 67289 Specdb::MsMs 125070 Specdb::MsMs 125071 Specdb::MsMs 125072 Specdb::MsMs 2374811 Specdb::MsMs 2374812 Specdb::MsMs 2374813 Specdb::MsMs 2560494 Specdb::MsMs 2560495 Specdb::MsMs 2560496 HMDB0029819 Caraway Type 1 specific Carum carvi 48032 Citrus Unknown generic