1.0 2010-04-08 22:15:27 UTC 2025-11-19 02:35:29 UTC FDB021087 Benzyl beta-primeveroside Aroma precursor from Oolong tea leaves (Camellia sinensis). Benzyl beta-primeveroside is found in tea. Baxgp Benzyl 6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranoside Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside Benzyl alcohol xylopyranosyl-(1-6)-glucopyranoside Benzyl b-primeveroside Benzyl beta-primeveroside C18H26O10 402.393 402.152597052 2-(benzyloxy)-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol 2-(benzyloxy)-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol 130622-31-0 OC1COC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2 WOGBNISMMIOPAZ-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 Disaccharides Hydrocarbon derivatives Oxacyclic compounds Oxanes Polyols Secondary alcohols Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Disaccharide Hydrocarbon derivative Monocyclic benzene moiety O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Polyol Secondary alcohol logp -1.30 ALOGPS logs -1.24 ALOGPS solubility 2.32e+01 g/l ALOGPS melting_point Mp 188-189° logp -1.7 ChemAxon pka_strongest_acidic 11.93 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 2-(benzyloxy)-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol ChemAxon average_mass 402.393 ChemAxon mono_mass 402.152597052 ChemAxon smiles OC1COC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O ChemAxon formula C18H26O10 ChemAxon inchi InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2 ChemAxon inchikey WOGBNISMMIOPAZ-UHFFFAOYSA-N ChemAxon polar_surface_area 158.3 ChemAxon refractivity 91.74 ChemAxon polarizability 40.58 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 296161 Specdb::MsMs 296162 Specdb::MsMs 296163 Specdb::MsMs 337384 Specdb::MsMs 337385 Specdb::MsMs 337386 Specdb::MsMs 2438236 Specdb::MsMs 2438237 Specdb::MsMs 2438238 Specdb::MsMs 2528301 Specdb::MsMs 2528302 Specdb::MsMs 2528303 Specdb::CMs 13683 Specdb::CMs 47167 Specdb::CMs 131215 Specdb::CMs 138949 Specdb::NmrOneD 45282 Specdb::NmrOneD 45283 Specdb::NmrOneD 45284 Specdb::NmrOneD 45285 Specdb::NmrOneD 45286 Specdb::NmrOneD 45287 Specdb::NmrOneD 45288 Specdb::NmrOneD 45289 Specdb::NmrOneD 45290 Specdb::NmrOneD 45291 Specdb::NmrOneD 45292 Specdb::NmrOneD 45293 Specdb::NmrOneD 45294 Specdb::NmrOneD 45295 Specdb::NmrOneD 45296 Specdb::NmrOneD 45297 Specdb::NmrOneD 45298 Specdb::NmrOneD 45299 Specdb::NmrOneD 45300 Specdb::NmrOneD 45301 HMDB41190 #<Reference:0x000055ce31f8d3d8> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442