1.0 2010-04-08 22:04:32 UTC 2025-11-18 22:17:21 UTC FDB000367 Collettiside I Constituent of Trigonella foenum-graecum (fenugreek). Collettiside I is found in herbs and spices and fenugreek. Alliumoside A? Collettiside I Diosgenin 3-O-beta-D-glucopyranoside Diosgenin glucoside Disogluside Disogluside, INN Disoglusido Disoglusidum Funkioside A Melongoside B Polygonatoside A Polyphyllin A Trillin WA 185 C33H52O8 576.7612 576.36621864 2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}oxane-3,4,5-triol 2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}oxane-3,4,5-triol 14144-06-0 CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1 InChI=1S/C33H52O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h5,17-18,20-30,34-37H,6-16H2,1-4H3 WXMARHKAXWRNDM-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 Delta-5-steroids Hydrocarbon derivatives Ketals Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Spirostanes and derivatives Tetrahydrofurans Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound Delta-5-steroid Glycosyl compound Hydrocarbon derivative Ketal Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Spirostane skeleton Steroidal saponin Tetrahydrofuran Triterpenoid logp 2.46 ALOGPS logs -4.99 ALOGPS solubility 5.86e-03 g/l ALOGPS melting_point Mp 275-280° dec. logp 3.16 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}oxane-3,4,5-triol ChemAxon average_mass 576.7612 ChemAxon mono_mass 576.36621864 ChemAxon smiles CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1 ChemAxon formula C33H52O8 ChemAxon inchi InChI=1S/C33H52O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h5,17-18,20-30,34-37H,6-16H2,1-4H3 ChemAxon inchikey WXMARHKAXWRNDM-UHFFFAOYSA-N ChemAxon polar_surface_area 117.84 ChemAxon refractivity 152.68 ChemAxon polarizability 66.59 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 7415 Specdb::MsMs 7416 Specdb::MsMs 7417 Specdb::MsMs 12869 Specdb::MsMs 12870 Specdb::MsMs 12871 Specdb::MsMs 14087 Specdb::MsMs 14088 Specdb::MsMs 14089 Specdb::MsMs 19541 Specdb::MsMs 19542 Specdb::MsMs 19543 Specdb::MsMs 2679364 Specdb::MsMs 2679365 Specdb::MsMs 2679366 Specdb::MsMs 3026064 Specdb::MsMs 3026065 Specdb::MsMs 3026066 HMDB0029310 Fenugreek Type 1 specific Trigonella foenum-graecum 78534 Herbs and Spices Unknown generic