1.02010-04-08 22:04:42 UTC2019-11-26 02:55:23 UTCFDB000772Lucyoside OConstituent of Luffa cylindrica (smooth luffa). Lucyoside O is found in fruits.Lucyoside OPHCH2-O-CO-Asn-(2S, 3S)- AHPBA-Pro-Ile-NH-CH2-C6H11C36H58O9634.8403634.40808345411-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid11-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid163634-06-8CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=OInChI=1S/C36H58O9/c1-31(2)12-14-36(30(42)43)15-13-34(6)19(20(36)16-31)8-9-24-33(5)17-21(38)28(32(3,4)23(33)10-11-35(24,34)7)45-29-27(41)26(40)25(39)22(18-37)44-29/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43)MCHSLZNQYJXEPC-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 saponinsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTerpene glycosidesAliphatic heteropolycyclic compoundsAcetalsCarbonyl compoundsCarboxylic acidsCyclic alcohols and derivativesFatty acyl glycosides of mono- and disaccharidesHexosesHydrocarbon derivativesMonocarboxylic acids and derivativesO-glycosyl compoundsOrganic oxidesOxacyclic compoundsOxanesPolyolsPrimary alcoholsSecondary alcoholsTriterpenoidsAcetalAlcoholAliphatic heteropolycyclic compoundCarbonyl groupCarboxylic acidCarboxylic acid derivativeCyclic alcoholFatty acylFatty acyl glycosideFatty acyl glycoside of mono- or disaccharideGlycosyl compoundHexose monosaccharideHydrocarbon derivativeMonocarboxylic acid or derivativesMonosaccharideO-glycosyl compoundOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePolyolPrimary alcoholSecondary alcoholTriterpene saponinTriterpenoidlogp4.03logs-4.44solubility2.32e-02 g/lmelting_pointMp 181-183°logp3.75pka_strongest_acidic4.74pka_strongest_basic-3iupac11-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acidaverage_mass634.8403mono_mass634.408083454smilesCC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=OformulaC36H58O9inchiInChI=1S/C36H58O9/c1-31(2)12-14-36(30(42)43)15-13-34(6)19(20(36)16-31)8-9-24-33(5)17-21(38)28(32(3,4)23(33)10-11-35(24,34)7)45-29-27(41)26(40)25(39)22(18-37)44-29/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43)inchikeyMCHSLZNQYJXEPC-UHFFFAOYSA-Npolar_surface_area156.91refractivity167.4polarizability71.91rotatable_bond_count4acceptor_count9donor_count6physiological_charge-1formal_charge0Specdb::MsMs55695Specdb::MsMs55696Specdb::MsMs55697Specdb::MsMs110904Specdb::MsMs110905Specdb::MsMs110906Specdb::MsMs2293386Specdb::MsMs2293387Specdb::MsMs2293388Specdb::MsMs2645763Specdb::MsMs2645764Specdb::MsMs2645765Specdb::CMs71858Specdb::CMs592412Specdb::CMs592413Specdb::CMs592414Specdb::CMs592415Specdb::CMs592416Specdb::CMs592417Specdb::CMs592418Specdb::CMs592419Specdb::CMs592420Specdb::CMs592421Specdb::CMs592422Specdb::CMs592423Specdb::CMs592424Specdb::CMs592425Specdb::CMs592426Specdb::CMs592427Specdb::CMs592428Specdb::CMs592429Specdb::CMs592430Specdb::CMs592431Specdb::CMs592432Specdb::CMs592433Specdb::CMs592434Specdb::CMs592435FruitsUnknowngeneric