1.0 2010-04-08 22:10:32 UTC 2025-11-18 23:41:24 UTC FDB013110 Sarsasapogenin 3-[2''-glucosyl-4''-xylosylglucoside] Constituent of Asparagus officinalis (asparagus). Sarsasapogenin 3-[2''-glucosyl-4''-xylosylglucoside] is found in green vegetables. AS 1 AS 1? Sarsasapogenin 3-[2''-glucosyl-4''-xylosylglucoside] Sarsasapogenin 3-[b-D-glucosyl-(1->2)-[b-D-xylosyl-(1->4)]-b-D-glucoside] Sarsasapogenin 3-[glucosyl-(1->2)-[xylosyl-(1->4)]-glucoside] Sarsasapogenin 3-O-[b-D-glucopyranosyl-(1->2)-[b-D-xylopyranosyl-(1->4)]-b-D-glucopyranoside] C44H72O17 873.0323 872.476950878 2-{[4-hydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[4-hydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 131622-60-1 CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OCC(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1 InChI=1S/C44H72O17/c1-19-7-12-44(55-17-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-41-38(60-40-35(52)33(50)32(49)28(15-45)57-40)36(53)37(29(16-46)58-41)59-39-34(51)31(48)26(47)18-54-39/h19-41,45-53H,5-18H2,1-4H3 KCJCMMKXYAIXFR-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 Hydrocarbon derivatives Ketals O-glycosyl compounds Oligosaccharides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Spirostanes and derivatives Tetrahydrofurans Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound Glycosyl compound Hydrocarbon derivative 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 0.37 ALOGPS logs -3.36 ALOGPS solubility 3.78e-01 g/l ALOGPS melting_point Mp 182-184° logp 0.65 ChemAxon pka_strongest_acidic 11.89 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[4-hydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 873.0323 ChemAxon mono_mass 872.476950878 ChemAxon smiles CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OCC(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1 ChemAxon formula C44H72O17 ChemAxon inchi InChI=1S/C44H72O17/c1-19-7-12-44(55-17-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-41-38(60-40-35(52)33(50)32(49)28(15-45)57-40)36(53)37(29(16-46)58-41)59-39-34(51)31(48)26(47)18-54-39/h19-41,45-53H,5-18H2,1-4H3 ChemAxon inchikey KCJCMMKXYAIXFR-UHFFFAOYSA-N ChemAxon polar_surface_area 255.91 ChemAxon refractivity 210.69 ChemAxon polarizability 94.87 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 17 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 7865 Specdb::MsMs 7866 Specdb::MsMs 7867 Specdb::MsMs 14537 Specdb::MsMs 14538 Specdb::MsMs 14539 Specdb::MsMs 2731561 Specdb::MsMs 2731562 Specdb::MsMs 2731563 Specdb::MsMs 2977517 Specdb::MsMs 2977518 Specdb::MsMs 2977519 HMDB34594 #<Reference:0x000055ce33290278> Green vegetables Unknown generic