1.0 2010-04-08 22:13:56 UTC 2019-11-26 03:16:40 UTC FDB018780 Lupeoside Constituent of the seeds of jack bean (Canavalia ensiformis). Lupeoside is found in pulses. Lupeoside C41H68O10 720.9726 720.481248396 2-[(6-{[1,2,5,14,18,18-hexamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-17-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]oxane-3,4,5-triol 2-[(6-{[1,2,5,14,18,18-hexamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-17-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]oxane-3,4,5-triol 111216-33-2 CC(=C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC34C)C12 InChI=1S/C41H68O10/c1-21(2)22-11-14-38(5)17-18-40(7)23(29(22)38)9-10-27-39(6)15-13-28(37(3,4)26(39)12-16-41(27,40)8)50-36-33(47)31(45)34(25(19-42)49-36)51-35-32(46)30(44)24(43)20-48-35/h22-36,42-47H,1,9-20H2,2-8H3 VTDZILAWJJXPEL-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton. Triterpene saponins Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteropolycyclic compounds Acetals Disaccharides Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Steroids and steroid derivatives Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound Disaccharide Glycosyl compound Hydrocarbon derivative O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroid Triterpene saponin Triterpenoid logp 3.92 ALOGPS logs -4.76 ALOGPS solubility 1.25e-02 g/l ALOGPS logp 4.54 ChemAxon pka_strongest_acidic 11.96 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-[(6-{[1,2,5,14,18,18-hexamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-17-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]oxane-3,4,5-triol ChemAxon average_mass 720.9726 ChemAxon mono_mass 720.481248396 ChemAxon smiles CC(=C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC34C)C12 ChemAxon formula C41H68O10 ChemAxon inchi InChI=1S/C41H68O10/c1-21(2)22-11-14-38(5)17-18-40(7)23(29(22)38)9-10-27-39(6)15-13-28(37(3,4)26(39)12-16-41(27,40)8)50-36-33(47)31(45)34(25(19-42)49-36)51-35-32(46)30(44)24(43)20-48-35/h22-36,42-47H,1,9-20H2,2-8H3 ChemAxon inchikey VTDZILAWJJXPEL-UHFFFAOYSA-N ChemAxon polar_surface_area 158.3 ChemAxon refractivity 189.77 ChemAxon polarizability 83 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 79071 Specdb::MsMs 79072 Specdb::MsMs 79073 Specdb::MsMs 139581 Specdb::MsMs 139582 Specdb::MsMs 139583 Specdb::MsMs 2720469 Specdb::MsMs 2720470 Specdb::MsMs 2720471 Specdb::MsMs 2958099 Specdb::MsMs 2958100 Specdb::MsMs 2958101 Specdb::CMs 760307 Specdb::CMs 760308 Specdb::CMs 760309 Specdb::CMs 760310 Specdb::CMs 760311 Specdb::CMs 760312 Specdb::CMs 760313 Specdb::CMs 760314 Specdb::CMs 760315 Specdb::CMs 760316 Specdb::CMs 760317 Specdb::CMs 760318 Specdb::CMs 760319 Specdb::CMs 760320 Specdb::CMs 760321 Specdb::CMs 760322 Specdb::CMs 760323 Specdb::CMs 760324 Specdb::CMs 760325 Specdb::CMs 760326 Specdb::CMs 760327 Specdb::CMs 760328 Specdb::CMs 760329 Specdb::CMs 760330 Specdb::CMs 760331 HMDB39242 #<Reference:0x000055ce330063b8> Pulses Unknown generic