1.0 2010-04-08 22:10:06 UTC 2025-11-18 23:35:40 UTC FDB012312 Asparasaponin II From white asparagus shoots (Asparagus officinalis). Asparasaponin II is found in green vegetables. Asparasaponin II C45H74O18 903.0583 902.487515564 2-[(4,5-dihydroxy-6-{[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]icos-18-en-16-yl]oxy}-2-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol 2-[(4,5-dihydroxy-6-{[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]icos-18-en-16-yl]oxy}-2-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol 60433-66-1 CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O InChI=1S/C45H74O18/c1-19(18-57-40-36(53)34(51)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-38(55)35(52)39(29(17-47)61-42)62-41-37(54)33(50)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3 RKFMVZQLJBGJKK-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 Delta-5-steroids 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 Delta-5-steroid 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 0.11 ALOGPS logs -3.37 ALOGPS solubility 3.82e-01 g/l ALOGPS logp -0.5 ChemAxon pka_strongest_acidic 11.51 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-[(4,5-dihydroxy-6-{[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]icos-18-en-16-yl]oxy}-2-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol ChemAxon average_mass 903.0583 ChemAxon mono_mass 902.487515564 ChemAxon smiles CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O ChemAxon formula C45H74O18 ChemAxon inchi InChI=1S/C45H74O18/c1-19(18-57-40-36(53)34(51)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-38(55)35(52)39(29(17-47)61-42)62-41-37(54)33(50)31(48)21(3)58-41/h6,19-21,23-42,46-56H,7-18H2,1-5H3 ChemAxon inchikey RKFMVZQLJBGJKK-UHFFFAOYSA-N ChemAxon polar_surface_area 287.14 ChemAxon refractivity 219.47 ChemAxon polarizability 98.11 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 18 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 90711 Specdb::MsMs 90712 Specdb::MsMs 90713 Specdb::MsMs 153939 Specdb::MsMs 153940 Specdb::MsMs 153941 Specdb::MsMs 2393992 Specdb::MsMs 2393993 Specdb::MsMs 2393994 Specdb::MsMs 2571179 Specdb::MsMs 2571180 Specdb::MsMs 2571181 Specdb::NmrOneD 124238 Specdb::NmrOneD 124239 Specdb::NmrOneD 124240 Specdb::NmrOneD 124241 Specdb::NmrOneD 124242 Specdb::NmrOneD 124243 Specdb::NmrOneD 124244 Specdb::NmrOneD 124245 Specdb::NmrOneD 124246 Specdb::NmrOneD 124247 Specdb::NmrOneD 124248 Specdb::NmrOneD 124249 Specdb::NmrOneD 124250 Specdb::NmrOneD 124251 Specdb::NmrOneD 124252 Specdb::NmrOneD 124253 Specdb::NmrOneD 124254 Specdb::NmrOneD 124255 Specdb::NmrOneD 124256 Specdb::NmrOneD 124257 HMDB34063 #<Reference:0x000055ce31e54b10> Green vegetables Unknown generic