1.0 2010-04-08 22:15:16 UTC 2019-11-26 03:19:30 UTC FDB020813 Melongoside E Constituent of aubergine (Solanum melongena). Melongoside E is found in fruits and eggplant. Melongoside E C39H64O13 740.9177 740.434692134 2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 266998-04-3 CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1 InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3 MMTWXUQMLQGAPC-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 Disaccharides Hydrocarbon derivatives Ketals O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Spirostanes and derivatives Tetrahydrofurans Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound Disaccharide Glycosyl compound Hydrocarbon derivative Ketal O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Spirostane skeleton Steroidal saponin Tetrahydrofuran Triterpenoid logp 1.75 ALOGPS logs -3.75 ALOGPS solubility 1.33e-01 g/l ALOGPS melting_point Mp 265-268° logp 1.79 ChemAxon pka_strongest_acidic 12.09 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 740.9177 ChemAxon mono_mass 740.434692134 ChemAxon smiles CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1 ChemAxon formula C39H64O13 ChemAxon inchi InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3 ChemAxon inchikey MMTWXUQMLQGAPC-UHFFFAOYSA-N ChemAxon polar_surface_area 196.99 ChemAxon refractivity 184.24 ChemAxon polarizability 83.14 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 13 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 8165 Specdb::MsMs 8166 Specdb::MsMs 8167 Specdb::MsMs 8195 Specdb::MsMs 8196 Specdb::MsMs 8197 Specdb::MsMs 11363 Specdb::MsMs 11364 Specdb::MsMs 11365 Specdb::MsMs 12020 Specdb::MsMs 12021 Specdb::MsMs 12022 Specdb::MsMs 14837 Specdb::MsMs 14838 Specdb::MsMs 14839 Specdb::MsMs 14867 Specdb::MsMs 14868 Specdb::MsMs 14869 Specdb::MsMs 18035 Specdb::MsMs 18036 Specdb::MsMs 18037 Specdb::MsMs 18692 Specdb::MsMs 18693 Specdb::MsMs 18694 Specdb::MsMs 2329356 HMDB36248 #<Reference:0x000055ce318da040> Eggplant Type 1 specific Solanum melongena 4111 Fruits Unknown generic