1.0 2010-04-08 22:05:16 UTC 2019-11-26 02:57:07 UTC FDB002180 Torvoside G Constituent of Solanum torvum (pea eggplant). Torvoside G is found in fruits. Torvoside G C34H56O9 608.803 608.39243339 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 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 184777-22-8 COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(=O)CCC5(C)C4CCC3(C)C2C1C InChI=1S/C34H56O9/c1-18(17-41-31-30(39)29(38)28(37)26(16-35)42-31)8-13-34(40-5)19(2)27-25(43-34)15-24-22-7-6-20-14-21(36)9-11-32(20,3)23(22)10-12-33(24,27)4/h18-20,22-31,35,37-39H,6-17H2,1-5H3 BDENGJXHUIIQRH-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 Fatty acyl glycosides of mono- and disaccharides Furostanes and derivatives Hexoses 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 Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Furostane-skeleton Glycosyl compound Hexose monosaccharide 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 Tetrahydrofuran logp 2.47 ALOGPS logs -5.03 ALOGPS solubility 5.64e-03 g/l ALOGPS logp 3.25 ChemAxon pka_strongest_acidic 12.21 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)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-one ChemAxon average_mass 608.803 ChemAxon mono_mass 608.39243339 ChemAxon smiles COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(=O)CCC5(C)C4CCC3(C)C2C1C ChemAxon formula C34H56O9 ChemAxon inchi InChI=1S/C34H56O9/c1-18(17-41-31-30(39)29(38)28(37)26(16-35)42-31)8-13-34(40-5)19(2)27-25(43-34)15-24-22-7-6-20-14-21(36)9-11-32(20,3)23(22)10-12-33(24,27)4/h18-20,22-31,35,37-39H,6-17H2,1-5H3 ChemAxon inchikey BDENGJXHUIIQRH-UHFFFAOYSA-N ChemAxon polar_surface_area 134.91 ChemAxon refractivity 159.06 ChemAxon polarizability 69.31 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 9 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 60798 Specdb::MsMs 60799 Specdb::MsMs 60800 Specdb::MsMs 117210 Specdb::MsMs 117211 Specdb::MsMs 117212 Specdb::MsMs 2467412 Specdb::MsMs 2467413 Specdb::MsMs 2467414 Specdb::MsMs 2498750 Specdb::MsMs 2498751 Specdb::MsMs 2498752 Specdb::CMs 11793 Specdb::CMs 41874 Specdb::CMs 495283 Specdb::CMs 495284 Specdb::CMs 495285 Specdb::CMs 495286 Specdb::CMs 495287 Specdb::CMs 495288 Specdb::CMs 495289 Specdb::CMs 495290 Specdb::CMs 495291 Specdb::CMs 495292 Specdb::CMs 495293 Specdb::CMs 495294 Specdb::CMs 495295 Specdb::CMs 495296 Specdb::CMs 495297 Specdb::CMs 495298 Specdb::CMs 495299 Specdb::CMs 495300 Specdb::CMs 495301 Specdb::CMs 495302 Specdb::CMs 495303 Specdb::CMs 495304 Specdb::CMs 495305 HMDB30337 #<Reference:0x000055ce32d52220> Fruits Unknown generic