1.0 2010-04-08 22:15:15 UTC 2019-11-26 03:19:26 UTC FDB020785 Arjunolic acid 3-glucoside Constituent of Luffa cylindrica (smooth luffa). Arjunolic acid 3-glucoside is found in fruits. Arjunolic acid 3-glucoside Arjunolic acid 3-O-b-D-glucopyranoside Arjunolic acid 3-O-b-D-glucoside C36H58O10 650.8397 650.402998076 11-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 11-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 99543-11-0 CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O InChI=1S/C36H58O10/c1-31(2)11-13-36(30(43)44)14-12-34(5)19(20(36)15-31)7-8-24-32(3)16-21(39)28(33(4,18-38)23(32)9-10-35(24,34)6)46-29-27(42)26(41)25(40)22(17-37)45-29/h7,20-29,37-42H,8-18H2,1-6H3,(H,43,44) ZOUJKJNUAOXJGL-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 2.97 ALOGPS logs -3.93 ALOGPS solubility 7.72e-02 g/l ALOGPS logp 2.47 ChemAxon pka_strongest_acidic 4.74 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 11-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)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O ChemAxon formula C36H58O10 ChemAxon inchi InChI=1S/C36H58O10/c1-31(2)11-13-36(30(43)44)14-12-34(5)19(20(36)15-31)7-8-24-32(3)16-21(39)28(33(4,18-38)23(32)9-10-35(24,34)6)46-29-27(42)26(41)25(40)22(17-37)45-29/h7,20-29,37-42H,8-18H2,1-6H3,(H,43,44) ChemAxon inchikey ZOUJKJNUAOXJGL-UHFFFAOYSA-N ChemAxon polar_surface_area 177.14 ChemAxon refractivity 169.17 ChemAxon polarizability 72.93 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 7166 Specdb::MsMs 7167 Specdb::MsMs 7168 Specdb::MsMs 13838 Specdb::MsMs 13839 Specdb::MsMs 13840 Specdb::MsMs 2282218 Specdb::MsMs 2282219 Specdb::MsMs 2282220 Specdb::MsMs 3086071 Specdb::MsMs 3086072 Specdb::MsMs 3086073 Specdb::CMs 644311 Specdb::CMs 644312 Specdb::CMs 644313 Specdb::CMs 644314 Specdb::CMs 644315 Specdb::CMs 644316 Specdb::CMs 644317 Specdb::CMs 644318 Specdb::CMs 644319 Specdb::CMs 644320 Specdb::CMs 644321 Specdb::CMs 644322 Specdb::CMs 644323 Specdb::CMs 644324 Specdb::CMs 644325 Specdb::CMs 644326 Specdb::CMs 644327 Specdb::CMs 644328 Specdb::CMs 644329 Specdb::CMs 644330 Specdb::CMs 644331 Specdb::CMs 644332 Specdb::CMs 644333 Specdb::CMs 644334 Specdb::CMs 644335 HMDB40941 #<Reference:0x000055ce30647ce8> Fruits Unknown generic