1.0 2010-04-08 22:04:43 UTC 2019-11-26 02:55:25 UTC FDB000791 Lucyoside Q Constituent of Luffa cylindrica (smooth luffa). Lucyoside Q is found in fruits. Lucyoside Q C36H58O9 634.8403 634.408083454 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 3,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-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 3,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate 183294-29-3 CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CC1O)C(=O)OC1OC(CO)C(O)C(O)C1O InChI=1S/C36H58O9/c1-31(2)16-20-19-8-9-23-33(5)12-11-24(38)32(3,4)22(33)10-13-35(23,7)34(19,6)14-15-36(20,17-25(31)39)30(43)45-29-28(42)27(41)26(40)21(18-37)44-29/h8,20-29,37-42H,9-18H2,1-7H3 CEMJRABGGWOEJQ-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 acid esters Cyclic alcohols and derivatives Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Hexose monosaccharide Hydrocarbon derivative Monocarboxylic acid or derivatives Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Triterpene saponin Triterpenoid logp 3.86 ALOGPS logs -4.30 ALOGPS solubility 3.22e-02 g/l ALOGPS melting_point Mp 238-240° logp 3.1 ChemAxon pka_strongest_acidic 12.19 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 3,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-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 634.8403 ChemAxon mono_mass 634.408083454 ChemAxon smiles CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CC1O)C(=O)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C36H58O9 ChemAxon inchi InChI=1S/C36H58O9/c1-31(2)16-20-19-8-9-23-33(5)12-11-24(38)32(3,4)22(33)10-13-35(23,7)34(19,6)14-15-36(20,17-25(31)39)30(43)45-29-28(42)27(41)26(40)21(18-37)44-29/h8,20-29,37-42H,9-18H2,1-7H3 ChemAxon inchikey CEMJRABGGWOEJQ-UHFFFAOYSA-N ChemAxon polar_surface_area 156.91 ChemAxon refractivity 167.57 ChemAxon polarizability 70.98 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20668 Specdb::CMs 592474 Specdb::CMs 592475 Specdb::CMs 592476 Specdb::CMs 592477 Specdb::CMs 592478 Specdb::CMs 592479 Specdb::CMs 592480 Specdb::CMs 592481 Specdb::CMs 592482 Specdb::CMs 592483 Specdb::CMs 592484 Specdb::CMs 592485 Specdb::CMs 592486 Specdb::CMs 592487 Specdb::CMs 592488 Specdb::CMs 592489 Specdb::CMs 592490 Specdb::CMs 592491 Specdb::CMs 592492 Specdb::CMs 592493 Specdb::CMs 592494 Specdb::CMs 592495 Specdb::CMs 592496 Specdb::CMs 592497 Specdb::MsMs 89352 Specdb::MsMs 89353 Specdb::MsMs 89354 Specdb::MsMs 152262 Specdb::MsMs 152263 Specdb::MsMs 152264 Specdb::MsMs 2802700 Specdb::MsMs 2802701 Specdb::MsMs 2802702 Specdb::MsMs 2879141 Specdb::MsMs 2879142 Specdb::MsMs 2879143 HMDB29621 #<Reference:0x000055ce3208add0> Fruits Unknown generic