1.0 2010-04-08 22:07:39 UTC 2025-11-18 23:05:01 UTC FDB007539 Benzyl 6-O-beta-D-apiofuranosyl-beta-D-glucoside Benzyl 6-o-beta-d-apiofuranosyl-beta-d-glucoside, also known as benzyl acuminose, is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Benzyl 6-o-beta-d-apiofuranosyl-beta-d-glucoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Benzyl 6-o-beta-d-apiofuranosyl-beta-d-glucoside can be found in common grape, which makes benzyl 6-o-beta-d-apiofuranosyl-beta-d-glucoside a potential biomarker for the consumption of this food product. C18H26O10 402.393 402.152597052 (2R,3R,4S,5S,6R)-2-(benzyloxy)-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol (2R,3R,4S,5S,6R)-2-(benzyloxy)-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O InChI=1S/C18H26O10/c19-8-18(24)9-27-17(15(18)23)26-7-11-12(20)13(21)14(22)16(28-11)25-6-10-4-2-1-3-5-10/h1-5,11-17,19-24H,6-9H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1 NJMQSVWMCODQIP-FQXXIRCGSA-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 Disaccharides Hydrocarbon derivatives Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tertiary alcohols Tetrahydrofurans Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Disaccharide Hydrocarbon derivative Monocyclic benzene moiety O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Tertiary alcohol Tetrahydrofuran logp -1.52 ALOGPS logs -1.34 ALOGPS solubility 1.86e+01 g/l ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 11.71 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac (2R,3R,4S,5S,6R)-2-(benzyloxy)-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol ChemAxon average_mass 402.393 ChemAxon mono_mass 402.152597052 ChemAxon smiles OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O ChemAxon formula C18H26O10 ChemAxon inchi InChI=1S/C18H26O10/c19-8-18(24)9-27-17(15(18)23)26-7-11-12(20)13(21)14(22)16(28-11)25-6-10-4-2-1-3-5-10/h1-5,11-17,19-24H,6-9H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1 ChemAxon inchikey NJMQSVWMCODQIP-FQXXIRCGSA-N ChemAxon polar_surface_area 158.3 ChemAxon refractivity 91.96 ChemAxon polarizability 39.14 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 62163 Specdb::MsMs 62164 Specdb::MsMs 62165 Specdb::MsMs 118836 Specdb::MsMs 118837 Specdb::MsMs 118838 Specdb::MsMs 3604115 Specdb::MsMs 3604116 Specdb::MsMs 3604117 Specdb::MsMs 3604118 Specdb::MsMs 3604119 Specdb::MsMs 3604120 Common grape Type 1 specific Vitis vinifera 29760