1.0 2010-04-08 22:07:48 UTC 2025-11-18 23:05:43 UTC FDB007854 Alliospiroside A Alliospiroside a is a member of the class of compounds known as steroidal saponins. Steroidal saponins are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative. Alliospiroside a is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Alliospiroside a can be found in garden onion, which makes alliospiroside a a potential biomarker for the consumption of this food product. C38H60O12 708.8758 708.408477384 2-[(4,5-dihydroxy-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-16'-oloxy}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol 2-[(4,5-dihydroxy-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-16'-oloxy}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol CC1C2C(CC3C4CC=C5CC(O)CC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC23C)OC11CCC(C)CO1 InChI=1S/C38H60O12/c1-17-8-11-38(46-15-17)18(2)28-26(50-38)14-24-22-7-6-20-12-21(39)13-27(37(20,5)23(22)9-10-36(24,28)4)48-35-33(30(42)25(40)16-45-35)49-34-32(44)31(43)29(41)19(3)47-34/h6,17-19,21-35,39-44H,7-16H2,1-5H3 SKHJNNFXCKTDBG-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-hydroxy delta-5-steroids Cyclic alcohols and derivatives Delta-5-steroids Disaccharides Hydrocarbon derivatives Ketals O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Secondary alcohols Spirostanes and derivatives Tetrahydrofurans Triterpenoids 3-hydroxy-delta-5-steroid 3-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Delta-5-steroid Disaccharide Glycosyl compound Hydrocarbon derivative Hydroxysteroid Ketal O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Secondary alcohol Spirostane skeleton Steroidal saponin Tetrahydrofuran Triterpenoid logp 1.82 ALOGPS logs -3.65 ALOGPS solubility 1.60e-01 g/l ALOGPS logp 1.76 ChemAxon pka_strongest_acidic 12.13 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 2-[(4,5-dihydroxy-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-16'-oloxy}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol ChemAxon average_mass 708.8758 ChemAxon mono_mass 708.408477384 ChemAxon smiles CC1C2C(CC3C4CC=C5CC(O)CC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC23C)OC11CCC(C)CO1 ChemAxon formula C38H60O12 ChemAxon inchi InChI=1S/C38H60O12/c1-17-8-11-38(46-15-17)18(2)28-26(50-38)14-24-22-7-6-20-12-21(39)13-27(37(20,5)23(22)9-10-36(24,28)4)48-35-33(30(42)25(40)16-45-35)49-34-32(44)31(43)29(41)19(3)47-34/h6,17-19,21-35,39-44H,7-16H2,1-5H3 ChemAxon inchikey SKHJNNFXCKTDBG-UHFFFAOYSA-N ChemAxon polar_surface_area 176.76 ChemAxon refractivity 179.06 ChemAxon polarizability 77.82 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 12 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 105924 Specdb::MsMs 105925 Specdb::MsMs 105926 Specdb::MsMs 172545 Specdb::MsMs 172546 Specdb::MsMs 172547 Specdb::MsMs 3604463 Specdb::MsMs 3604464 Specdb::MsMs 3604465 Specdb::MsMs 3604466 Specdb::MsMs 3604467 Specdb::MsMs 3604468 Garden onion Type 1 specific Allium cepa 4679 460.0 460.0 460.0 mg/100 g