1.02010-04-08 22:05:28 UTC2019-11-26 02:57:46 UTCFDB002658Torvonin AConstituent of Solanum torvum (pea eggplant). Torvonin A is found in fruits.Torvonin AC39H64O12724.9183724.4397775122-[(4,5-dihydroxy-6-methyl-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-19'-oloxy}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol2-[(4,5-dihydroxy-6-methyl-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-19'-oloxy}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol99956-65-7CC1C2C(CC3C4CC(O)C5CC(CCC5(C)C4CCC23C)OC2OC(C)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)CO1InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(40)25-13-21(8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-34(32(44)30(42)20(4)48-36)50-35-33(45)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3DRHJMJVSLJEJHE-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 glycosideslogp1.87logs-3.98solubility7.54e-02 g/lmelting_pointMp 285°logp2.58pka_strongest_acidic12.11pka_strongest_basic-2.8iupac2-[(4,5-dihydroxy-6-methyl-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-19'-oloxy}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triolaverage_mass724.9183mono_mass724.439777512smilesCC1C2C(CC3C4CC(O)C5CC(CCC5(C)C4CCC23C)OC2OC(C)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)CO1formulaC39H64O12inchiInChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(40)25-13-21(8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-34(32(44)30(42)20(4)48-36)50-35-33(45)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3inchikeyDRHJMJVSLJEJHE-UHFFFAOYSA-Npolar_surface_area176.76refractivity182.75polarizability81.6rotatable_bond_count4acceptor_count12donor_count6physiological_charge0formal_charge0Specdb::CMs763491Specdb::CMs763492Specdb::CMs763493Specdb::CMs763494Specdb::CMs763495Specdb::CMs763496Specdb::CMs763497Specdb::CMs763498Specdb::CMs763499Specdb::CMs763500Specdb::CMs763501Specdb::CMs763502Specdb::CMs763503Specdb::CMs763504Specdb::CMs763505Specdb::CMs763506Specdb::CMs763507Specdb::CMs763508Specdb::CMs763509Specdb::CMs763510Specdb::CMs763511Specdb::CMs763512Specdb::CMs763513Specdb::CMs763514Specdb::CMs763515Specdb::MsMs97806Specdb::MsMs97807Specdb::MsMs97808Specdb::MsMs162597Specdb::MsMs162598Specdb::MsMs162599Specdb::MsMs2837466Specdb::MsMs2837467Specdb::MsMs2837468Specdb::MsMs2868606Specdb::MsMs2868607Specdb::MsMs2868608HMDB30732#<Reference:0x00005556763f1548>FruitsUnknowngeneric