1.0 2010-04-08 22:09:19 UTC 2019-11-26 03:04:09 UTC FDB010813 Lucyoside R Constituent of Luffa cylindrica (smooth luffa). Lucyoside R is found in fruits. Lucyoside R C36H58O11 666.8391 666.397912698 3,11-dihydroxy-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 3,11-dihydroxy-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 206270-86-2 CC1(C)CC2C3=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CC1O)C(O)=O InChI=1S/C36H58O11/c1-31(2)13-19-18-7-8-23-32(3)14-20(39)28(47-29-27(43)26(42)25(41)21(16-37)46-29)33(4,17-38)22(32)9-10-35(23,6)34(18,5)11-12-36(19,30(44)45)15-24(31)40/h7,19-29,37-43H,8-17H2,1-6H3,(H,44,45) XARTTWLFBGJXMU-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 12-hydroxysteroids 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 Triterpenoids 12-hydroxysteroid 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 Hydroxysteroid 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 2.11 ALOGPS logs -3.58 ALOGPS solubility 1.77e-01 g/l ALOGPS melting_point Mp 234-236° logp 1.24 ChemAxon pka_strongest_acidic 4.64 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 3,11-dihydroxy-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 666.8391 ChemAxon mono_mass 666.397912698 ChemAxon smiles CC1(C)CC2C3=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CC1O)C(O)=O ChemAxon formula C36H58O11 ChemAxon inchi InChI=1S/C36H58O11/c1-31(2)13-19-18-7-8-23-32(3)14-20(39)28(47-29-27(43)26(42)25(41)21(16-37)46-29)33(4,17-38)22(32)9-10-35(23,6)34(18,5)11-12-36(19,30(44)45)15-24(31)40/h7,19-29,37-43H,8-17H2,1-6H3,(H,44,45) ChemAxon inchikey XARTTWLFBGJXMU-UHFFFAOYSA-N ChemAxon polar_surface_area 197.37 ChemAxon refractivity 170.69 ChemAxon polarizability 73.13 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 45231 Specdb::MsMs 45232 Specdb::MsMs 45233 Specdb::MsMs 150648 Specdb::MsMs 150649 Specdb::MsMs 150650 Specdb::MsMs 2328681 Specdb::MsMs 2328682 Specdb::MsMs 2328683 Specdb::MsMs 2634017 Specdb::MsMs 2634018 Specdb::MsMs 2634019 Specdb::CMs 699491 Specdb::CMs 699492 Specdb::CMs 699493 Specdb::CMs 699494 Specdb::CMs 699495 Specdb::CMs 699496 Specdb::CMs 699497 Specdb::CMs 699498 Specdb::CMs 699499 Specdb::CMs 699500 Specdb::CMs 699501 Specdb::CMs 699502 Specdb::CMs 699503 Specdb::CMs 699504 Specdb::CMs 699505 Specdb::CMs 699506 Specdb::CMs 699507 Specdb::CMs 699508 Specdb::CMs 699509 Specdb::CMs 699510 Specdb::CMs 699511 Specdb::CMs 699512 Specdb::CMs 699513 Specdb::CMs 699514 Specdb::CMs 699515 HMDB32836 #<Reference:0x000055ce323903e0> Fruits Unknown generic