1.0 2010-04-08 22:10:12 UTC 2019-11-26 03:06:53 UTC FDB012480 Melongoside N Constituent of Solanum melongena (aubergine). Melongoside N is found in green vegetables and eggplant. Melongoside N C45H76O19 921.0735 920.49808025 2-[(4,5-dihydroxy-2-{[6-hydroxy-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-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2-[(4,5-dihydroxy-2-{[6-hydroxy-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-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 98524-46-0 CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O InChI=1S/C45H76O19/c1-19(18-58-40-37(55)34(52)31(49)27(15-46)60-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)59-42-39(36(54)33(51)29(17-48)62-42)63-41-38(56)35(53)32(50)28(16-47)61-41/h19-42,46-57H,5-18H2,1-4H3 SORUXVRKWOHYEO-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 Acetals Alkyl glycosides Disaccharides Diterpene glycosides Diterpenoids Fatty acyl glycosides of mono- and disaccharides Furostanes and derivatives Hemiacetals Hydrocarbon derivatives Hydroxysteroids O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tetrahydrofurans 22-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Alkyl glycoside 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 -0.49 ALOGPS logs -3.09 ALOGPS solubility 7.46e-01 g/l ALOGPS melting_point Mp 187-189° logp -1.1 ChemAxon pka_strongest_acidic 11.56 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-[(4,5-dihydroxy-2-{[6-hydroxy-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-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 921.0735 ChemAxon mono_mass 920.49808025 ChemAxon smiles CC(CCC1(O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O ChemAxon formula C45H76O19 ChemAxon inchi InChI=1S/C45H76O19/c1-19(18-58-40-37(55)34(52)31(49)27(15-46)60-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)59-42-39(36(54)33(51)29(17-48)62-42)63-41-38(56)35(53)32(50)28(16-47)61-41/h19-42,46-57H,5-18H2,1-4H3 ChemAxon inchikey SORUXVRKWOHYEO-UHFFFAOYSA-N ChemAxon polar_surface_area 307.37 ChemAxon refractivity 220.17 ChemAxon polarizability 98.53 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 19 ChemAxon donor_count 12 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 124738 Specdb::NmrOneD 124739 Specdb::NmrOneD 124740 Specdb::NmrOneD 124741 Specdb::NmrOneD 124742 Specdb::NmrOneD 124743 Specdb::NmrOneD 124744 Specdb::NmrOneD 124745 Specdb::NmrOneD 124746 Specdb::NmrOneD 124747 Specdb::NmrOneD 124748 Specdb::NmrOneD 124749 Specdb::NmrOneD 124750 Specdb::NmrOneD 124751 Specdb::NmrOneD 124752 Specdb::NmrOneD 124753 Specdb::NmrOneD 124754 Specdb::NmrOneD 124755 Specdb::NmrOneD 124756 Specdb::NmrOneD 124757 Specdb::MsMs 7601 Specdb::MsMs 7602 Specdb::MsMs 7603 Specdb::MsMs 10838 Specdb::MsMs 10839 Specdb::MsMs 10840 Specdb::MsMs 11372 Specdb::MsMs 11373 Specdb::MsMs 11374 Specdb::MsMs 14273 Specdb::MsMs 14274 Specdb::MsMs 14275 Specdb::MsMs 17510 Specdb::MsMs 17511 Specdb::MsMs 17512 Specdb::MsMs 18044 Specdb::MsMs 18045 Specdb::MsMs 18046 Specdb::MsMs 2275254 Specdb::MsMs 2275255 Specdb::MsMs 2275256 Specdb::MsMs 3092935 Specdb::MsMs 3092936 Specdb::MsMs 3092937 HMDB34187 #<Reference:0x000055ce3360f110> Eggplant Type 1 specific Solanum melongena 4111 Green vegetables Unknown generic