1.0 2010-04-08 22:11:48 UTC 2025-11-19 00:54:35 UTC FDB015380 Trigoneoside Xa Constituent of Trigonella foenum-graecum (fenugreek). Trigoneoside Xa is found in herbs and spices and fenugreek. Trigoneoside Xa C45H76O19 921.0735 920.49808025 2-[(2-{[6,15-dihydroxy-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]icosan-16-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol 2-[(2-{[6,15-dihydroxy-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]icosan-16-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol 290347-51-2 CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O InChI=1S/C45H76O19/c1-18(17-58-40-37(55)35(53)32(50)28(15-46)61-40)8-11-45(57)19(2)30-27(64-45)13-24-22-7-6-21-12-26(25(48)14-44(21,5)23(22)9-10-43(24,30)4)60-42-39(36(54)33(51)29(16-47)62-42)63-41-38(56)34(52)31(49)20(3)59-41/h18-42,46-57H,6-17H2,1-5H3 WROHFEWGWYQNPP-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 Cyclic alcohols and derivatives 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 2-hydroxysteroid 22-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Alkyl glycoside Cyclic alcohol 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 -0.74 ALOGPS logs -3.03 ALOGPS solubility 8.67e-01 g/l ALOGPS logp -1.2 ChemAxon pka_strongest_acidic 11.56 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-[(2-{[6,15-dihydroxy-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]icosan-16-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol ChemAxon average_mass 921.0735 ChemAxon mono_mass 920.49808025 ChemAxon smiles CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O ChemAxon formula C45H76O19 ChemAxon inchi InChI=1S/C45H76O19/c1-18(17-58-40-37(55)35(53)32(50)28(15-46)61-40)8-11-45(57)19(2)30-27(64-45)13-24-22-7-6-21-12-26(25(48)14-44(21,5)23(22)9-10-43(24,30)4)60-42-39(36(54)33(51)29(16-47)62-42)63-41-38(56)34(52)31(49)20(3)59-41/h18-42,46-57H,6-17H2,1-5H3 ChemAxon inchikey WROHFEWGWYQNPP-UHFFFAOYSA-N ChemAxon polar_surface_area 307.37 ChemAxon refractivity 219.98 ChemAxon polarizability 97.3 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 19 ChemAxon donor_count 12 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 136370 Specdb::NmrOneD 136371 Specdb::NmrOneD 136372 Specdb::NmrOneD 136373 Specdb::NmrOneD 136374 Specdb::NmrOneD 136375 Specdb::NmrOneD 136376 Specdb::NmrOneD 136377 Specdb::NmrOneD 136378 Specdb::NmrOneD 136379 Specdb::NmrOneD 136380 Specdb::NmrOneD 136381 Specdb::NmrOneD 136382 Specdb::NmrOneD 136383 Specdb::NmrOneD 136384 Specdb::NmrOneD 136385 Specdb::NmrOneD 136386 Specdb::NmrOneD 136387 Specdb::NmrOneD 136388 Specdb::NmrOneD 136389 Specdb::MsMs 56322 Specdb::MsMs 56323 Specdb::MsMs 56324 Specdb::MsMs 111708 Specdb::MsMs 111709 Specdb::MsMs 111710 Specdb::MsMs 2777765 Specdb::MsMs 2777766 Specdb::MsMs 2777767 Specdb::MsMs 2901087 Specdb::MsMs 2901088 Specdb::MsMs 2901089 HMDB36484 #<Reference:0x000055ce32df3ee0> Fenugreek Type 1 specific Trigonella foenum-graecum 78534 Herbs and Spices Unknown generic