1.0 2010-04-08 22:15:45 UTC 2019-11-26 03:20:28 UTC FDB021509 Torvoside F Constituent of Solanum torvum (pea eggplant). Torvoside F is found in fruits. Torvoside F C45H74O18 903.0583 902.487515564 19-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6-methoxy-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-16-one 19-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6-methoxy-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-16-one COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(OC5OC(C)C(O)C(OC6OCC(O)C(O)C6O)C5O)C5CC(=O)CCC5(C)C4CCC3(C)C2C1C InChI=1S/C45H74O18/c1-19(17-57-40-37(54)35(52)34(51)30(16-46)61-40)7-12-45(56-6)20(2)31-29(63-45)15-25-23-14-28(26-13-22(47)8-10-43(26,4)24(23)9-11-44(25,31)5)60-42-38(55)39(32(49)21(3)59-42)62-41-36(53)33(50)27(48)18-58-41/h19-21,23-42,46,48-55H,7-18H2,1-6H3 MQHCVIYZFLPTOJ-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 Disaccharides Diterpene glycosides Diterpenoids Fatty acyl glycosides of mono- and disaccharides Furostanes and derivatives Hydrocarbon derivatives Ketals 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 Disaccharide Diterpene glycoside Diterpenoid Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Furostane-skeleton Glycosyl compound Hydrocarbon derivative Ketal Ketone 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 -0.09 ALOGPS logs -3.36 ALOGPS solubility 3.96e-01 g/l ALOGPS logp 0.078 ChemAxon pka_strongest_acidic 11.77 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 19-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6-methoxy-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-16-one ChemAxon average_mass 903.0583 ChemAxon mono_mass 902.487515564 ChemAxon smiles COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(OC5OC(C)C(O)C(OC6OCC(O)C(O)C6O)C5O)C5CC(=O)CCC5(C)C4CCC3(C)C2C1C ChemAxon formula C45H74O18 ChemAxon inchi InChI=1S/C45H74O18/c1-19(17-57-40-37(54)35(52)34(51)30(16-46)61-40)7-12-45(56-6)20(2)31-29(63-45)15-25-23-14-28(26-13-22(47)8-10-43(26,4)24(23)9-11-44(25,31)5)60-42-38(55)39(32(49)21(3)59-42)62-41-36(53)33(50)27(48)18-58-41/h19-21,23-42,46,48-55H,7-18H2,1-6H3 ChemAxon inchikey MQHCVIYZFLPTOJ-UHFFFAOYSA-N ChemAxon polar_surface_area 272.98 ChemAxon refractivity 217.98 ChemAxon polarizability 95.87 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 18 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 319387 Specdb::MsMs 319388 Specdb::MsMs 319389 Specdb::MsMs 366490 Specdb::MsMs 366491 Specdb::MsMs 366492 Specdb::MsMs 2423854 Specdb::MsMs 2423855 Specdb::MsMs 2423856 Specdb::MsMs 2515647 Specdb::MsMs 2515648 Specdb::MsMs 2515649 Specdb::NmrOneD 47282 Specdb::NmrOneD 47283 Specdb::NmrOneD 47284 Specdb::NmrOneD 47285 Specdb::NmrOneD 47286 Specdb::NmrOneD 47287 Specdb::NmrOneD 47288 Specdb::NmrOneD 47289 Specdb::NmrOneD 47290 Specdb::NmrOneD 47291 Specdb::NmrOneD 47292 Specdb::NmrOneD 47293 Specdb::NmrOneD 47294 Specdb::NmrOneD 47295 Specdb::NmrOneD 47296 Specdb::NmrOneD 47297 Specdb::NmrOneD 47298 Specdb::NmrOneD 47299 Specdb::NmrOneD 47300 Specdb::NmrOneD 47301 HMDB41531 #<Reference:0x000055ce3162e698> Fruits Unknown generic