1.02010-04-08 22:04:32 UTC2019-11-26 02:54:42 UTCFDB000375Asparagoside BConstituent of Asparagus officinalis (asparagus). Asparagoside B is found in green vegetables.Asparagoside BC33H56O9596.7923596.392433392-(4-{6,16-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol2-(4-{6,16-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol60237-69-6CC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OInChI=1S/C33H56O9/c1-17(16-40-30-29(38)28(37)27(36)25(15-34)41-30)7-12-33(39)18(2)26-24(42-33)14-23-21-6-5-19-13-20(35)8-10-31(19,3)22(21)9-11-32(23,26)4/h17-30,34-39H,5-16H2,1-4H3FBJYDOQUXQMQSS-UHFFFAOYSA-N belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative.Steroidal saponinsOrganic compoundsLipids and lipid-like moleculesSteroids and steroid derivativesSteroidal glycosidesAliphatic heteropolycyclic compounds3-hydroxysteroidsAcetalsAlkyl glycosidesCyclic alcohols and derivativesFatty acyl glycosides of mono- and disaccharidesFurostanes and derivativesHemiacetalsHexosesHydrocarbon derivativesO-glycosyl compoundsOxacyclic compoundsOxanesPolyolsPrimary alcoholsSecondary alcoholsTetrahydrofurans22-hydroxysteroid3-hydroxysteroidAcetalAlcoholAliphatic heteropolycyclic compoundAlkyl glycosideCyclic alcoholFatty acylFatty acyl glycosideFatty acyl glycoside of mono- or disaccharideFurostane-skeletonGlycosyl compoundHemiacetalHexose monosaccharideHydrocarbon derivativeHydroxysteroidMonosaccharideO-glycosyl compoundOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePolyolPrimary alcoholSecondary alcoholSteroidal saponinTetrahydrofuranlogp1.99logs-4.42solubility2.29e-02 g/llogp2.4pka_strongest_acidic11.69pka_strongest_basic-1.4iupac2-(4-{6,16-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triolaverage_mass596.7923mono_mass596.39243339smilesCC(CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OformulaC33H56O9inchiInChI=1S/C33H56O9/c1-17(16-40-30-29(38)28(37)27(36)25(15-34)41-30)7-12-33(39)18(2)26-24(42-33)14-23-21-6-5-19-13-20(35)8-10-31(19,3)22(21)9-11-32(23,26)4/h17-30,34-39H,5-16H2,1-4H3inchikeyFBJYDOQUXQMQSS-UHFFFAOYSA-Npolar_surface_area149.07refractivity155.34polarizability68.02rotatable_bond_count7acceptor_count9donor_count6physiological_charge0formal_charge0Specdb::CMs11645Specdb::CMs41270Specdb::CMs455830Specdb::CMs455831Specdb::CMs455832Specdb::CMs455833Specdb::CMs455834Specdb::CMs455835Specdb::CMs455836Specdb::CMs455837Specdb::CMs455838Specdb::CMs455839Specdb::CMs455840Specdb::CMs455841Specdb::CMs455842Specdb::CMs455843Specdb::CMs455844Specdb::CMs455845Specdb::CMs455846Specdb::CMs455847Specdb::CMs455848Specdb::CMs455849Specdb::CMs455850Specdb::CMs455851Specdb::CMs455852Specdb::MsMs89532Specdb::MsMs89533Specdb::MsMs89534Specdb::MsMs152478Specdb::MsMs152479Specdb::MsMs152480Specdb::MsMs2832501Specdb::MsMs2832502Specdb::MsMs2832503Specdb::MsMs2850463Specdb::MsMs2850464Specdb::MsMs2850465HMDB29315#<Reference:0x000055567457d378>Green vegetablesUnknowngeneric