1.0 2010-04-08 22:05:48 UTC 2019-11-26 02:59:12 UTC FDB003430 Lucyoside L Constituent of Luffa cylindrica (smooth luffa). Lucyoside L is found in fruits. Lucyoside L C48H76O19 957.1056 956.49808025 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9-formyl-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9-formyl-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate 100179-68-8 CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O InChI=1S/C48H76O19/c1-43(2)13-15-48(42(61)67-40-37(60)34(57)31(54)25(19-50)63-40)16-14-46(5)22(23(48)17-43)7-8-28-44(3)11-10-29(45(4,21-52)27(44)9-12-47(28,46)6)65-41-38(35(58)32(55)26(20-51)64-41)66-39-36(59)33(56)30(53)24(18-49)62-39/h7,21,23-41,49-51,53-60H,8-20H2,1-6H3 LWMKKJBQNOLSBE-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 Aldehydes Carboxylic acid esters Disaccharides Fatty acyl glycosides of mono- and disaccharides Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Steroids and steroid derivatives Triterpenoids Acetal Alcohol Aldehyde Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Disaccharide Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative Monocarboxylic acid or derivatives O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroid Triterpene saponin Triterpenoid logp 1.56 ALOGPS logs -3.30 ALOGPS solubility 4.79e-01 g/l ALOGPS logp -0.18 ChemAxon pka_strongest_acidic 11.84 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9-formyl-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate ChemAxon average_mass 957.1056 ChemAxon mono_mass 956.49808025 ChemAxon smiles CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C48H76O19 ChemAxon inchi InChI=1S/C48H76O19/c1-43(2)13-15-48(42(61)67-40-37(60)34(57)31(54)25(19-50)63-40)16-14-46(5)22(23(48)17-43)7-8-28-44(3)11-10-29(45(4,21-52)27(44)9-12-47(28,46)6)65-41-38(35(58)32(55)26(20-51)64-41)66-39-36(59)33(56)30(53)24(18-49)62-39/h7,21,23-41,49-51,53-60H,8-20H2,1-6H3 ChemAxon inchikey LWMKKJBQNOLSBE-UHFFFAOYSA-N ChemAxon polar_surface_area 312.05 ChemAxon refractivity 231.67 ChemAxon polarizability 101.38 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 18 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 18762 Specdb::NmrOneD 18763 Specdb::NmrOneD 18764 Specdb::NmrOneD 18765 Specdb::NmrOneD 18766 Specdb::NmrOneD 18767 Specdb::NmrOneD 18768 Specdb::NmrOneD 18769 Specdb::NmrOneD 18770 Specdb::NmrOneD 18771 Specdb::NmrOneD 18772 Specdb::NmrOneD 18773 Specdb::NmrOneD 18774 Specdb::NmrOneD 18775 Specdb::NmrOneD 18776 Specdb::NmrOneD 18777 Specdb::NmrOneD 18778 Specdb::NmrOneD 18779 Specdb::NmrOneD 18780 Specdb::NmrOneD 18781 Specdb::MsMs 77433 Specdb::MsMs 77434 Specdb::MsMs 77435 Specdb::MsMs 137559 Specdb::MsMs 137560 Specdb::MsMs 137561 Specdb::MsMs 2308911 Specdb::MsMs 2308912 Specdb::MsMs 2308913 Specdb::MsMs 2656252 Specdb::MsMs 2656253 Specdb::MsMs 2656254 HMDB31363 #<Reference:0x000055ce317e3da8> Fruits Unknown generic