1.0 2010-04-08 22:10:32 UTC 2025-11-18 23:41:24 UTC FDB013111 Aginoside progenin Constituent of Allium ampeloprasum (great-head garlic). Aginoside progenin is found in onion-family vegetables. Aginoside progenin C39H64O15 772.9165 772.424521378 2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-15',19'-dioloxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-15',19'-dioloxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 61478-53-3 CC1C2C(CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1 InChI=1S/C39H64O15/c1-16-5-8-39(49-15-16)17(2)28-25(54-39)10-20-18-9-22(42)21-11-24(23(43)12-38(21,4)19(18)6-7-37(20,28)3)50-35-33(48)31(46)34(27(14-41)52-35)53-36-32(47)30(45)29(44)26(13-40)51-36/h16-36,40-48H,5-15H2,1-4H3 DQLBLHWGFPEMQR-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 6-hydroxysteroids Cyclic alcohols and derivatives Disaccharides Hydrocarbon derivatives Ketals O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Spirostanes and derivatives Tetrahydrofurans Triterpenoids 2-hydroxysteroid 6-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Disaccharide Glycosyl compound Hydrocarbon derivative Hydroxysteroid 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 -0.54 ALOGPS logs -2.99 ALOGPS solubility 7.88e-01 g/l ALOGPS melting_point Mp 249-251° logp -0.59 ChemAxon pka_strongest_acidic 11.94 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-15',19'-dioloxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 772.9165 ChemAxon mono_mass 772.424521378 ChemAxon smiles CC1C2C(CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1 ChemAxon formula C39H64O15 ChemAxon inchi InChI=1S/C39H64O15/c1-16-5-8-39(49-15-16)17(2)28-25(54-39)10-20-18-9-22(42)21-11-24(23(43)12-38(21,4)19(18)6-7-37(20,28)3)50-35-33(48)31(46)34(27(14-41)52-35)53-36-32(47)30(45)29(44)26(13-40)51-36/h16-36,40-48H,5-15H2,1-4H3 ChemAxon inchikey DQLBLHWGFPEMQR-UHFFFAOYSA-N ChemAxon polar_surface_area 237.45 ChemAxon refractivity 187.2 ChemAxon polarizability 83.6 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 15 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 126798 Specdb::NmrOneD 126799 Specdb::NmrOneD 126800 Specdb::NmrOneD 126801 Specdb::NmrOneD 126802 Specdb::NmrOneD 126803 Specdb::NmrOneD 126804 Specdb::NmrOneD 126805 Specdb::NmrOneD 126806 Specdb::NmrOneD 126807 Specdb::NmrOneD 126808 Specdb::NmrOneD 126809 Specdb::NmrOneD 126810 Specdb::NmrOneD 126811 Specdb::NmrOneD 126812 Specdb::NmrOneD 126813 Specdb::NmrOneD 126814 Specdb::NmrOneD 126815 Specdb::NmrOneD 126816 Specdb::NmrOneD 126817 Specdb::MsMs 51402 Specdb::MsMs 51403 Specdb::MsMs 51404 Specdb::MsMs 162627 Specdb::MsMs 162628 Specdb::MsMs 162629 Specdb::MsMs 2454481 Specdb::MsMs 2454482 Specdb::MsMs 2454483 Specdb::MsMs 2484099 Specdb::MsMs 2484100 Specdb::MsMs 2484101 Specdb::CMs 784011 Specdb::CMs 784012 Specdb::CMs 784013 Specdb::CMs 784014 Specdb::CMs 784015 Specdb::CMs 784016 Specdb::CMs 784017 Specdb::CMs 784018 Specdb::CMs 784019 Specdb::CMs 784020 Specdb::CMs 784021 Specdb::CMs 784022 Specdb::CMs 784023 Specdb::CMs 784024 Specdb::CMs 784025 Specdb::CMs 784026 Specdb::CMs 784027 Specdb::CMs 784028 HMDB34595 #<Reference:0x000055ce335f6250> Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875