1.0 2010-04-08 22:15:44 UTC 2019-11-26 03:20:28 UTC FDB021506 Torvoside A Constituent of Solanum torvum (pea eggplant). Torvoside A is found in fruits. Torvoside A C45H76O18 905.0741 904.503165628 2-[(2-{[6,16-dihydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-19-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl)oxy]-6-methyloxane-3,4,5-triol 2-[(2-{[6,16-dihydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-19-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl)oxy]-6-methyloxane-3,4,5-triol CC(CCC1(O)OC2CC3C4CC(OC5OC(C)C(O)C(OC6OC(C)C(O)C(O)C6O)C5O)C5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O InChI=1S/C45H76O18/c1-18(17-57-40-36(53)35(52)33(50)29(16-46)61-40)7-12-45(56)19(2)30-28(63-45)15-25-23-14-27(26-13-22(47)8-10-43(26,5)24(23)9-11-44(25,30)6)60-42-38(55)39(32(49)21(4)59-42)62-41-37(54)34(51)31(48)20(3)58-41/h18-42,46-56H,7-17H2,1-6H3 YZMXYCYONPBBDJ-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 Acetals Alkyl glycosides Cyclic alcohols and derivatives Disaccharides Diterpene glycosides Diterpenoids Fatty acyl glycosides of mono- and disaccharides Furostanes and derivatives Hemiacetals Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tetrahydrofurans 22-hydroxysteroid 3-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Alkyl glycoside Cyclic alcohol Disaccharide Diterpene glycoside Diterpenoid Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Furostane-skeleton Glycosyl compound Hemiacetal Hydrocarbon derivative Hydroxysteroid O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroidal saponin Terpene glycoside Tetrahydrofuran logp -0.30 ALOGPS logs -3.11 ALOGPS solubility 7.00e-01 g/l ALOGPS logp -0.36 ChemAxon pka_strongest_acidic 11.51 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-[(2-{[6,16-dihydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-19-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl)oxy]-6-methyloxane-3,4,5-triol ChemAxon average_mass 905.0741 ChemAxon mono_mass 904.503165628 ChemAxon smiles CC(CCC1(O)OC2CC3C4CC(OC5OC(C)C(O)C(OC6OC(C)C(O)C(O)C6O)C5O)C5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O ChemAxon formula C45H76O18 ChemAxon inchi InChI=1S/C45H76O18/c1-18(17-57-40-36(53)35(52)33(50)29(16-46)61-40)7-12-45(56)19(2)30-28(63-45)15-25-23-14-27(26-13-22(47)8-10-43(26,5)24(23)9-11-44(25,30)6)60-42-38(55)39(32(49)21(4)59-42)62-41-37(54)34(51)31(48)20(3)58-41/h18-42,46-56H,7-17H2,1-6H3 ChemAxon inchikey YZMXYCYONPBBDJ-UHFFFAOYSA-N ChemAxon polar_surface_area 287.14 ChemAxon refractivity 218.67 ChemAxon polarizability 97.3 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 18 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 11411 Specdb::MsMs 11412 Specdb::MsMs 11413 Specdb::MsMs 18083 Specdb::MsMs 18084 Specdb::MsMs 18085 Specdb::MsMs 2302854 Specdb::MsMs 2302855 Specdb::MsMs 2302856 Specdb::MsMs 3066752 Specdb::MsMs 3066753 Specdb::MsMs 3066754 Specdb::NmrOneD 47242 Specdb::NmrOneD 47243 Specdb::NmrOneD 47244 Specdb::NmrOneD 47245 Specdb::NmrOneD 47246 Specdb::NmrOneD 47247 Specdb::NmrOneD 47248 Specdb::NmrOneD 47249 Specdb::NmrOneD 47250 Specdb::NmrOneD 47251 Specdb::NmrOneD 47252 Specdb::NmrOneD 47253 Specdb::NmrOneD 47254 Specdb::NmrOneD 47255 Specdb::NmrOneD 47256 Specdb::NmrOneD 47257 Specdb::NmrOneD 47258 Specdb::NmrOneD 47259 Specdb::NmrOneD 47260 Specdb::NmrOneD 47261 HMDB41528 #<Reference:0x000055ce320bb1d8> Fruits Unknown generic