1.0 2010-04-08 22:15:20 UTC 2019-11-26 03:19:37 UTC FDB020912 Lucyoside N Constituent of Luffa cylindrica (smooth luffa). Lucyoside N is found in fruits. Lucyoside N C36H58O10 650.8397 650.402998076 3-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-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 acid 3-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-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 acid 152845-77-7 CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CC1O)C(O)=O InChI=1S/C36H58O10/c1-31(2)15-20-19-7-8-23-32(3)11-10-25(46-29-28(42)27(41)26(40)21(17-37)45-29)33(4,18-38)22(32)9-12-35(23,6)34(19,5)13-14-36(20,30(43)44)16-24(31)39/h7,20-29,37-42H,8-18H2,1-6H3,(H,43,44) JAJHTUPNVRLALX-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 Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Fatty acyl glycosides of mono- and disaccharides Hexoses 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 Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monocarboxylic acid or derivatives Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroid Triterpene saponin Triterpenoid logp 2.81 ALOGPS logs -4.01 ALOGPS solubility 6.32e-02 g/l ALOGPS melting_point Mp 221-223° logp 2.31 ChemAxon pka_strongest_acidic 4.64 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 3-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-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 acid ChemAxon average_mass 650.8397 ChemAxon mono_mass 650.402998076 ChemAxon smiles CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CC1O)C(O)=O ChemAxon formula C36H58O10 ChemAxon inchi InChI=1S/C36H58O10/c1-31(2)15-20-19-7-8-23-32(3)11-10-25(46-29-28(42)27(41)26(40)21(17-37)45-29)33(4,18-38)22(32)9-12-35(23,6)34(19,5)13-14-36(20,30(43)44)16-24(31)39/h7,20-29,37-42H,8-18H2,1-6H3,(H,43,44) ChemAxon inchikey JAJHTUPNVRLALX-UHFFFAOYSA-N ChemAxon polar_surface_area 177.14 ChemAxon refractivity 169.33 ChemAxon polarizability 72.7 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 644402 Specdb::CMs 644403 Specdb::CMs 644404 Specdb::CMs 644405 Specdb::CMs 644406 Specdb::CMs 644407 Specdb::CMs 644408 Specdb::CMs 644409 Specdb::CMs 644410 Specdb::CMs 644411 Specdb::CMs 644412 Specdb::CMs 644413 Specdb::CMs 644414 Specdb::CMs 644415 Specdb::CMs 644416 Specdb::CMs 644417 Specdb::CMs 644418 Specdb::CMs 644419 Specdb::CMs 644420 Specdb::CMs 644421 Specdb::CMs 644422 Specdb::CMs 644423 Specdb::CMs 644424 Specdb::CMs 644425 Specdb::CMs 644426 Specdb::MsMs 11693 Specdb::MsMs 11694 Specdb::MsMs 11695 Specdb::MsMs 18365 Specdb::MsMs 18366 Specdb::MsMs 18367 Specdb::MsMs 3047660 Specdb::MsMs 3047661 Specdb::MsMs 3047662 Specdb::MsMs 3095443 Specdb::MsMs 3095444 Specdb::MsMs 3095445 HMDB41040 #<Reference:0x000055ce3323b430> Fruits Unknown generic