1.0 2010-04-08 22:04:43 UTC 2025-11-18 22:23:34 UTC FDB000794 Torvoside D Constituent of Solanum torvum (pea eggplant). Torvoside D is found in fruits. Torvoside D C38H62O13 726.8911 726.41904207 2-[(3,5-dihydroxy-2-methyl-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-3,16'-dioloxy}oxan-4-yl)oxy]oxane-3,4,5-triol 2-[(3,5-dihydroxy-2-methyl-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-3,16'-dioloxy}oxan-4-yl)oxy]oxane-3,4,5-triol CC1C2C(CC3C4CC(OC5OC(C)C(O)C(OC6OCC(O)C(O)C6O)C5O)C5CC(O)CCC5(C)C4CCC23C)OC11OCC(C)CC1O InChI=1S/C38H62O13/c1-16-10-27(41)38(47-14-16)17(2)28-26(51-38)13-22-20-12-25(23-11-19(39)6-8-36(23,4)21(20)7-9-37(22,28)5)49-35-32(45)33(29(42)18(3)48-35)50-34-31(44)30(43)24(40)15-46-34/h16-35,39-45H,6-15H2,1-5H3 FOCICMJCJFCWOL-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-hydroxysteroids Cyclic alcohols and derivatives Disaccharides Hydrocarbon derivatives Ketals O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Secondary alcohols Spirostanes and derivatives Tetrahydrofurans Triterpenoids 23-hydroxysteroid 3-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Disaccharide Glycosyl compound Hydrocarbon derivative Hydroxysteroid Ketal O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Secondary alcohol Spirostane skeleton Steroidal saponin Tetrahydrofuran Triterpenoid logp 0.73 ALOGPS logs -3.34 ALOGPS solubility 3.31e-01 g/l ALOGPS logp 1.31 ChemAxon pka_strongest_acidic 11.94 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 2-[(3,5-dihydroxy-2-methyl-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-3,16'-dioloxy}oxan-4-yl)oxy]oxane-3,4,5-triol ChemAxon average_mass 726.8911 ChemAxon mono_mass 726.41904207 ChemAxon smiles CC1C2C(CC3C4CC(OC5OC(C)C(O)C(OC6OCC(O)C(O)C6O)C5O)C5CC(O)CCC5(C)C4CCC23C)OC11OCC(C)CC1O ChemAxon formula C38H62O13 ChemAxon inchi InChI=1S/C38H62O13/c1-16-10-27(41)38(47-14-16)17(2)28-26(51-38)13-22-20-12-25(23-11-19(39)6-8-36(23,4)21(20)7-9-37(22,28)5)49-35-32(45)33(29(42)18(3)48-35)50-34-31(44)30(43)24(40)15-46-34/h16-35,39-45H,6-15H2,1-5H3 ChemAxon inchikey FOCICMJCJFCWOL-UHFFFAOYSA-N ChemAxon polar_surface_area 196.99 ChemAxon refractivity 179.58 ChemAxon polarizability 80.17 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 13 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 764864 Specdb::CMs 764865 Specdb::CMs 764866 Specdb::CMs 764867 Specdb::CMs 764868 Specdb::CMs 764869 Specdb::CMs 764870 Specdb::CMs 764871 Specdb::CMs 764872 Specdb::CMs 764873 Specdb::CMs 764874 Specdb::CMs 764875 Specdb::CMs 764876 Specdb::CMs 764877 Specdb::CMs 764878 Specdb::CMs 764879 Specdb::CMs 764880 Specdb::CMs 764881 Specdb::CMs 764882 Specdb::CMs 764883 Specdb::CMs 764884 Specdb::CMs 764885 Specdb::CMs 764886 Specdb::CMs 764887 Specdb::CMs 764888 Specdb::MsMs 6638 Specdb::MsMs 6639 Specdb::MsMs 6640 Specdb::MsMs 13310 Specdb::MsMs 13311 Specdb::MsMs 13312 Specdb::MsMs 3049058 Specdb::MsMs 3049059 Specdb::MsMs 3049060 Specdb::MsMs 3118816 Specdb::MsMs 3118817 Specdb::MsMs 3118818 HMDB29624 #<Reference:0x000055ce30631bf0> Fruits Unknown generic