1.0 2010-04-08 22:11:27 UTC 2019-11-26 03:10:42 UTC FDB014752 Cyclopassifloside VI Constituent of Passiflora edulis (passion fruit). Cyclopassifloside VI is found in fruits. Cyclopassifloside VI C36H58O11 666.8391 666.397912698 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4,6-dihydroxy-15-(3-hydroxy-6-methyl-5-oxoheptan-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-(3-hydroxy-6-methyl-5-oxoheptan-2-yl)-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylate 292167-43-2 CC(C)C(=O)CC(O)C(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O InChI=1S/C36H58O11/c1-17(2)20(38)13-21(39)18(3)19-9-10-33(5)23-7-8-24-34(6,31(45)47-30-29(44)28(43)27(42)22(15-37)46-30)25(40)14-26(41)36(24)16-35(23,36)12-11-32(19,33)4/h17-19,21-30,37,39-44H,7-16H2,1-6H3 DQWGJNAMAZRGFN-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 Beta hydroxy acids and derivatives Beta-hydroxy ketones Carboxylic acid esters Cyclic alcohols and derivatives Cycloartanols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides Organic oxides Oxacyclic compounds Oxanes Oxosteroids Polyols Primary alcohols Secondary alcohols Tetrahydroxy bile acids, alcohols and derivatives Triterpenoids 1-hydroxysteroid 11-hydroxysteroid 22-hydroxysteroid 24-oxosteroid 3-hydroxysteroid 9b,19-cyclo-lanostane-skeleton Acetal Alcohol Aliphatic heteropolycyclic compound Beta-hydroxy acid Beta-hydroxy ketone Bile acid, alcohol, or derivatives Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cholane-skeleton Cyclic alcohol Cycloartane-skeleton Cycloartanol-skeleton Hydrocarbon derivative Hydroxy acid Hydroxy bile acid, alcohol, or derivatives Hydroxysteroid Ketone Monocarboxylic acid or derivatives Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxosteroid Polyol Primary alcohol Secondary alcohol Steroid Tetrahydroxy bile acid, alcohol, or derivatives Triterpene saponin Triterpenoid logp 1.75 ALOGPS logs -3.72 ALOGPS solubility 1.28e-01 g/l ALOGPS logp 1.5 ChemAxon pka_strongest_acidic 12.19 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4,6-dihydroxy-15-(3-hydroxy-6-methyl-5-oxoheptan-2-yl)-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylate ChemAxon average_mass 666.8391 ChemAxon mono_mass 666.397912698 ChemAxon smiles CC(C)C(=O)CC(O)C(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C36H58O11 ChemAxon inchi InChI=1S/C36H58O11/c1-17(2)20(38)13-21(39)18(3)19-9-10-33(5)23-7-8-24-34(6,31(45)47-30-29(44)28(43)27(42)22(15-37)46-30)25(40)14-26(41)36(24)16-35(23,36)12-11-32(19,33)4/h17-19,21-30,37,39-44H,7-16H2,1-6H3 ChemAxon inchikey DQWGJNAMAZRGFN-UHFFFAOYSA-N ChemAxon polar_surface_area 194.21 ChemAxon refractivity 168.91 ChemAxon polarizability 73.62 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 62919 Specdb::MsMs 62920 Specdb::MsMs 62921 Specdb::MsMs 119757 Specdb::MsMs 119758 Specdb::MsMs 119759 Specdb::MsMs 2768063 Specdb::MsMs 2768064 Specdb::MsMs 2768065 Specdb::MsMs 2913356 Specdb::MsMs 2913357 Specdb::MsMs 2913358 Specdb::CMs 10722 Specdb::CMs 699875 Specdb::CMs 699876 Specdb::CMs 699877 Specdb::CMs 699878 Specdb::CMs 699879 Specdb::CMs 699880 Specdb::CMs 699881 Specdb::CMs 699882 Specdb::CMs 699883 Specdb::CMs 699884 Specdb::CMs 699885 Specdb::CMs 699886 Specdb::CMs 699887 Specdb::CMs 699888 Specdb::CMs 699889 Specdb::CMs 699890 Specdb::CMs 699891 Specdb::CMs 699892 Specdb::CMs 699893 Specdb::CMs 699894 Specdb::CMs 699895 Specdb::CMs 699896 Specdb::CMs 699897 Specdb::CMs 699898 HMDB35949 #<Reference:0x00007f0900626eb0> Fruits Unknown generic