1.0 2010-04-08 22:08:07 UTC 2019-11-26 03:02:41 UTC FDB008511 Benzyl beta-vicianoside Constituent of the fruit of Passiflora edulis (passion fruit). Benzyl beta-vicianoside is found in fruits. Benzyl b-vicianoside C33H60O30 936.813 936.316940532 2,3,4,5-tetrahydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexanal; 2-[2-hydroxy-2-(3,4,5-trihydroxyoxolan-2-yl)ethoxy]oxane-3,4,5-triol; 6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-2,3,4,5-tetrol 2,3,4,5-tetrahydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexanal; 2-[2-hydroxy-2-(3,4,5-trihydroxyoxolan-2-yl)ethoxy]oxane-3,4,5-triol; 6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-2,3,4,5-tetrol 148031-67-8 OC(COC1OCC(O)C(O)C1O)C(O)C(O)C(O)C=O.OC(COC1OCC(O)C(O)C1O)C1OC(O)C(O)C1O.OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O InChI=1S/3C11H20O10/c12-3-1-19-11(8(17)5(3)14)20-2-4(13)9-6(15)7(16)10(18)21-9;12-3-1-19-11(9(17)5(3)13)20-2-4-6(14)7(15)8(16)10(18)21-4;12-1-4(13)7(16)8(17)5(14)2-20-11-10(19)9(18)6(15)3-21-11/h2*3-18H,1-2H2;1,4-11,13-19H,2-3H2 WGADDPNCZACXSD-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 Acetals Alpha-hydroxyaldehydes Beta-hydroxy aldehydes Disaccharides Hemiacetals Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Secondary alcohols Tetrahydrofurans Acetal Alcohol Aldehyde Aliphatic heteromonocyclic compound Alpha-hydroxyaldehyde Beta-hydroxy aldehyde Carbonyl group Disaccharide Hemiacetal Hydrocarbon derivative O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Polyol Secondary alcohol Tetrahydrofuran logp -2.94 ALOGPS logs 0.24 ALOGPS solubility 5.48e+02 g/l ALOGPS logp -4.1 ChemAxon pka_strongest_acidic 11.25 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 2,3,4,5-tetrahydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexanal; 2-[2-hydroxy-2-(3,4,5-trihydroxyoxolan-2-yl)ethoxy]oxane-3,4,5-triol; 6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-2,3,4,5-tetrol ChemAxon average_mass 936.813 ChemAxon mono_mass 936.316940532 ChemAxon smiles OC(COC1OCC(O)C(O)C1O)C(O)C(O)C(O)C=O.OC(COC1OCC(O)C(O)C1O)C1OC(O)C(O)C1O.OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O ChemAxon formula C33H60O30 ChemAxon inchi InChI=1S/3C11H20O10/c12-3-1-19-11(8(17)5(3)14)20-2-4(13)9-6(15)7(16)10(18)21-9;12-3-1-19-11(9(17)5(3)13)20-2-4-6(14)7(15)8(16)10(18)21-4;12-1-4(13)7(16)8(17)5(14)2-20-11-10(19)9(18)6(15)3-21-11/h2*3-18H,1-2H2;1,4-11,13-19H,2-3H2 ChemAxon inchikey WGADDPNCZACXSD-UHFFFAOYSA-N ChemAxon polar_surface_area 169.3 ChemAxon refractivity 62.37 ChemAxon polarizability 29.07 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 59316 Specdb::MsMs 59317 Specdb::MsMs 59318 Specdb::MsMs 115428 Specdb::MsMs 115429 Specdb::MsMs 115430 Fruits Unknown generic