1.0 2010-04-08 22:15:29 UTC 2018-05-29 01:49:43 UTC FDB021126 b-D-Xylopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-D-fucose Constituent of desacylsaponins from the bark of Quillaja saponaria (soap-bark tree) b-D-Xylopyranosyl-(1->4)-6-deoxy-a-L-mannopyranosyl-(1->2)-6-deoxy-D-galactose, 9CI C17H30O13 442.4123 442.168641046 3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6-methyloxane-2,4,5-triol 3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6-methyloxane-2,4,5-triol 13283-31-3 CC1OC(O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C1O InChI=1S/C17H30O13/c1-4-7(19)9(21)14(15(25)27-4)30-17-12(24)10(22)13(5(2)28-17)29-16-11(23)8(20)6(18)3-26-16/h4-25H,3H2,1-2H3 UQYIWBRIELHTMI-UHFFFAOYSA-N belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Oligosaccharides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Hemiacetals Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Glycosyl compound Hemiacetal Hydrocarbon derivative O-glycosyl compound Oligosaccharide Organoheterocyclic compound Oxacycle Oxane Polyol Secondary alcohol logp -2.09 ALOGPS logs -0.23 ALOGPS solubility 2.61e+02 g/l ALOGPS logp -3.8 ChemAxon pka_strongest_acidic 11.23 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6-methyloxane-2,4,5-triol ChemAxon average_mass 442.4123 ChemAxon mono_mass 442.168641046 ChemAxon smiles CC1OC(O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C1O ChemAxon formula C17H30O13 ChemAxon inchi InChI=1S/C17H30O13/c1-4-7(19)9(21)14(15(25)27-4)30-17-12(24)10(22)13(5(2)28-17)29-16-11(23)8(20)6(18)3-26-16/h4-25H,3H2,1-2H3 ChemAxon inchikey UQYIWBRIELHTMI-UHFFFAOYSA-N ChemAxon polar_surface_area 207.99 ChemAxon refractivity 91.7 ChemAxon polarizability 42.94 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 13 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 295231 Specdb::MsMs 295232 Specdb::MsMs 295233 Specdb::MsMs 336187 Specdb::MsMs 336188 Specdb::MsMs 336189 Specdb::CMs 13287 Specdb::CMs 47189 HMDB41225 #<Reference:0x000055ce32885670>