1.0 2010-04-08 22:15:25 UTC 2025-11-19 02:35:04 UTC FDB021017 Gitogenin 3-[glucosyl-(1->2)-glucosyl-(1->4)-galactoside] Constituent of Allium chinense (rakkyo). Gitogenin 3-[glucosyl-(1->2)-glucosyl-(1->4)-galactoside] is found in onion-family vegetables. Gitogenin 3-[b-D-glucosyl-(1->2)-b-D-glucosyl-(1->4)-b-D-galactoside] Gitogenin 3-[glucosyl-(1->2)-glucosyl-(1->4)-galactoside] Gitogenin 3-O-[b-D-glucopyranosyl-(1->2)-b-D-glucopyranosyl-(1->4)-b-D-galactopyranoside] C45H74O19 919.0577 918.482430186 2-[(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'-oloxy}oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2-[(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'-oloxy}oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 617-45-8 CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1 InChI=1S/C45H74O19/c1-18-7-10-45(57-17-18)19(2)30-26(64-45)12-23-21-6-5-20-11-25(24(49)13-44(20,4)22(21)8-9-43(23,30)3)58-40-37(56)35(54)38(29(16-48)61-40)62-42-39(34(53)32(51)28(15-47)60-42)63-41-36(55)33(52)31(50)27(14-46)59-41/h18-42,46-56H,5-17H2,1-4H3 CGORMVKERVDQKF-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 Cyclic alcohols and derivatives Hydrocarbon derivatives Hydroxysteroids Ketals O-glycosyl compounds Oligosaccharides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Spirostanes and derivatives Tetrahydrofurans Triterpenoids 2-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Glycosyl compound Hydrocarbon derivative Hydroxysteroid Ketal O-glycosyl compound Oligosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Spirostane skeleton Steroidal saponin Tetrahydrofuran Triterpenoid logp -0.65 ALOGPS logs -2.98 ALOGPS solubility 9.71e-01 g/l ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 11.87 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 2-[(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'-oloxy}oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 919.0577 ChemAxon mono_mass 918.482430186 ChemAxon smiles CC1C2C(CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1 ChemAxon formula C45H74O19 ChemAxon inchi InChI=1S/C45H74O19/c1-18-7-10-45(57-17-18)19(2)30-26(64-45)12-23-21-6-5-20-11-25(24(49)13-44(20,4)22(21)8-9-43(23,30)3)58-40-37(56)35(54)38(29(16-48)61-40)62-42-39(34(53)32(51)28(15-47)60-42)63-41-36(55)33(52)31(50)27(14-46)59-41/h18-42,46-56H,5-17H2,1-4H3 ChemAxon inchikey CGORMVKERVDQKF-UHFFFAOYSA-N ChemAxon polar_surface_area 296.37 ChemAxon refractivity 218.02 ChemAxon polarizability 98.57 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 19 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 312364 Specdb::MsMs 312365 Specdb::MsMs 312366 Specdb::MsMs 357598 Specdb::MsMs 357599 Specdb::MsMs 357600 Specdb::MsMs 2794133 Specdb::MsMs 2794134 Specdb::MsMs 2794135 Specdb::MsMs 2885366 Specdb::MsMs 2885367 Specdb::MsMs 2885368 Specdb::NmrOneD 44802 Specdb::NmrOneD 44803 Specdb::NmrOneD 44804 Specdb::NmrOneD 44805 Specdb::NmrOneD 44806 Specdb::NmrOneD 44807 Specdb::NmrOneD 44808 Specdb::NmrOneD 44809 Specdb::NmrOneD 44810 Specdb::NmrOneD 44811 Specdb::NmrOneD 44812 Specdb::NmrOneD 44813 Specdb::NmrOneD 44814 Specdb::NmrOneD 44815 Specdb::NmrOneD 44816 Specdb::NmrOneD 44817 Specdb::NmrOneD 44818 Specdb::NmrOneD 44819 Specdb::NmrOneD 44820 Specdb::NmrOneD 44821 HMDB0041134 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