1.0 2010-04-08 22:13:16 UTC 2025-11-19 01:58:19 UTC FDB017741 Cyclopassifloside III Constituent of Passiflora edulis (passion fruit). Cyclopassifloside III is found in fruits. Cyclopassifloside III C43H72O16 845.0222 844.482036256 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4,6-dihydroxy-15-[5-hydroxy-6-methyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)heptan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylate 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4,6-dihydroxy-15-[5-hydroxy-6-methyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)heptan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylate 292167-40-9 CC(C)C(O)(CCC(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O InChI=1S/C43H72O16/c1-20(2)42(55,19-56-35-33(52)31(50)29(48)23(16-44)57-35)12-9-21(3)22-10-11-39(5)25-7-8-26-40(6,37(54)59-36-34(53)32(51)30(49)24(17-45)58-36)27(46)15-28(47)43(26)18-41(25,43)14-13-38(22,39)4/h20-36,44-53,55H,7-19H2,1-6H3 NUJWBDOJBSCJEG-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 1-hydroxysteroids 11-hydroxysteroids 3-hydroxysteroids Acetals Alkyl glycosides Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Cycloartanols and derivatives Fatty acyl glycosides of mono- and disaccharides Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tertiary alcohols Tetrahydroxy bile acids, alcohols and derivatives Triterpenoids 1-hydroxysteroid 11-hydroxysteroid 24-hydroxysteroid 3-hydroxysteroid 9b,19-cyclo-lanostane-skeleton Acetal Alcohol Aliphatic heteropolycyclic compound Alkyl glycoside Beta-hydroxy acid Bile acid, alcohol, or derivatives Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cholane-skeleton Cyclic alcohol Cycloartane-skeleton Cycloartanol-skeleton Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative Hydroxy acid Hydroxy bile acid, alcohol, or derivatives 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 Tertiary alcohol Tetrahydroxy bile acid, alcohol, or derivatives Triterpene saponin Triterpenoid logp 0.48 ALOGPS logs -3.48 ALOGPS solubility 2.79e-01 g/l ALOGPS logp -0.27 ChemAxon pka_strongest_acidic 11.9 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4,6-dihydroxy-15-[5-hydroxy-6-methyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)heptan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylate ChemAxon average_mass 845.0222 ChemAxon mono_mass 844.482036256 ChemAxon smiles CC(C)C(O)(CCC(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O ChemAxon formula C43H72O16 ChemAxon inchi InChI=1S/C43H72O16/c1-20(2)42(55,19-56-35-33(52)31(50)29(48)23(16-44)57-35)12-9-21(3)22-10-11-39(5)25-7-8-26-40(6,37(54)59-36-34(53)32(51)30(49)24(17-45)58-36)27(46)15-28(47)43(26)18-41(25,43)14-13-38(22,39)4/h20-36,44-53,55H,7-19H2,1-6H3 ChemAxon inchikey NUJWBDOJBSCJEG-UHFFFAOYSA-N ChemAxon polar_surface_area 276.52 ChemAxon refractivity 206.99 ChemAxon polarizability 93.34 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 15 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 11696 Specdb::MsMs 11697 Specdb::MsMs 11698 Specdb::MsMs 18368 Specdb::MsMs 18369 Specdb::MsMs 18370 Specdb::MsMs 2660206 Specdb::MsMs 2660207 Specdb::MsMs 2660208 Specdb::MsMs 3018444 Specdb::MsMs 3018445 Specdb::MsMs 3018446 Specdb::NmrOneD 26062 Specdb::NmrOneD 26063 Specdb::NmrOneD 26064 Specdb::NmrOneD 26065 Specdb::NmrOneD 26066 Specdb::NmrOneD 26067 Specdb::NmrOneD 26068 Specdb::NmrOneD 26069 Specdb::NmrOneD 26070 Specdb::NmrOneD 26071 Specdb::NmrOneD 26072 Specdb::NmrOneD 26073 Specdb::NmrOneD 26074 Specdb::NmrOneD 26075 Specdb::NmrOneD 26076 Specdb::NmrOneD 26077 Specdb::NmrOneD 26078 Specdb::NmrOneD 26079 Specdb::NmrOneD 26080 Specdb::NmrOneD 26081 HMDB38390 #<Reference:0x000055ce31c3f028> Fruits Unknown generic