1.0 2010-04-08 22:15:45 UTC 2019-11-26 03:20:28 UTC FDB021508 Torvoside E Constituent of Solanum torvum (pea eggplant). Torvoside E is found in fruits. Torvoside E C40H66O14 770.9436 770.44525682 6-methoxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-19-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-one 6-methoxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-19-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-one COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(OC5OC(C)C(O)C(O)C5O)C5CC(=O)CCC5(C)C4CCC3(C)C2C1C InChI=1S/C40H66O14/c1-18(17-50-36-34(47)33(46)31(44)28(16-41)53-36)7-12-40(49-6)19(2)29-27(54-40)15-24-22-14-26(52-37-35(48)32(45)30(43)20(3)51-37)25-13-21(42)8-10-38(25,4)23(22)9-11-39(24,29)5/h18-20,22-37,41,43-48H,7-17H2,1-6H3 SPXXSSPWDGTYTM-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 saponins Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides Aliphatic heteropolycyclic compounds 3-oxosteroids Alkyl glycosides Cyclic ketones Diterpene glycosides Diterpenoids Fatty acyl glycosides of mono- and disaccharides Furostanes and derivatives Hydrocarbon derivatives Ketals Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tetrahydrofurans 3-oxosteroid Acetal Alcohol Aliphatic heteropolycyclic compound Alkyl glycoside Carbonyl group Cyclic ketone Diterpene glycoside Diterpenoid Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Furostane-skeleton Glycosyl compound Hydrocarbon derivative Ketal Ketone Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxosteroid Polyol Primary alcohol Secondary alcohol Steroidal saponin Terpene glycoside Tetrahydrofuran logp 0.90 ALOGPS logs -3.71 ALOGPS solubility 1.51e-01 g/l ALOGPS logp 1.22 ChemAxon pka_strongest_acidic 11.92 ChemAxon pka_strongest_basic -3 ChemAxon iupac 6-methoxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-19-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-one ChemAxon average_mass 770.9436 ChemAxon mono_mass 770.44525682 ChemAxon smiles COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(OC5OC(C)C(O)C(O)C5O)C5CC(=O)CCC5(C)C4CCC3(C)C2C1C ChemAxon formula C40H66O14 ChemAxon inchi InChI=1S/C40H66O14/c1-18(17-50-36-34(47)33(46)31(44)28(16-41)53-36)7-12-40(49-6)19(2)29-27(54-40)15-24-22-14-26(52-37-35(48)32(45)30(43)20(3)51-37)25-13-21(42)8-10-38(25,4)23(22)9-11-39(24,29)5/h18-20,22-37,41,43-48H,7-17H2,1-6H3 ChemAxon inchikey SPXXSSPWDGTYTM-UHFFFAOYSA-N ChemAxon polar_surface_area 214.06 ChemAxon refractivity 191.52 ChemAxon polarizability 84 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 14 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 783165 Specdb::CMs 783166 Specdb::CMs 783167 Specdb::CMs 783168 Specdb::CMs 783169 Specdb::CMs 783170 Specdb::CMs 783171 Specdb::CMs 783172 Specdb::CMs 783173 Specdb::CMs 783174 Specdb::CMs 783175 Specdb::CMs 783176 Specdb::CMs 783177 Specdb::CMs 783178 Specdb::CMs 783179 Specdb::CMs 783180 Specdb::CMs 783181 Specdb::CMs 783182 Specdb::MsMs 304603 Specdb::MsMs 304604 Specdb::MsMs 304605 Specdb::MsMs 347863 Specdb::MsMs 347864 Specdb::MsMs 347865 Specdb::MsMs 2701852 Specdb::MsMs 2701853 Specdb::MsMs 2701854 Specdb::MsMs 3006300 Specdb::MsMs 3006301 Specdb::MsMs 3006302 HMDB41530 #<Reference:0x000055ce328a3058> Fruits Unknown generic