1.0 2010-04-08 22:12:07 UTC 2019-11-26 03:12:27 UTC FDB015916 Gypsogenin 3-O-b-D-glucuronide Constituent of the famine food Momordica dioica. Gypsogenin 3-O-b-D-glucuronide is found in fruits. 3b-Hydroxy-23-oxo-12-oleanen-28-oic acid 3-O-b-D-glucuronopyranoside Gypsogenin 3-O-b-D-glucuronide Gypsogenin 3-O-b-D-glucuronopyranoside Gypsogenin 3-O-glucuronide Vacaroside C36H54O10 646.808 646.371697948 6-[(8a-carboxy-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 6-[(8a-carboxy-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 105762-16-1 CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2C1)C(O)=O InChI=1S/C36H54O10/c1-31(2)13-15-36(30(43)44)16-14-34(5)19(20(36)17-31)7-8-22-32(3)11-10-23(33(4,18-37)21(32)9-12-35(22,34)6)45-29-26(40)24(38)25(39)27(46-29)28(41)42/h7,18,20-27,29,38-40H,8-17H2,1-6H3,(H,41,42)(H,43,44) NUSHOJSYOLRGAX-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 Aldehydes Beta hydroxy acids and derivatives Carboxylic acids Dicarboxylic acids and derivatives Hexoses Hydrocarbon derivatives O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyrans Secondary alcohols Steroids and steroid derivatives Triterpenoids 1-o-glucuronide Acetal Alcohol Aldehyde Aliphatic heteropolycyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Glucuronic acid or derivatives Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxy acid Monosaccharide O-glucuronide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Pyran Secondary alcohol Steroid Triterpene saponin Triterpenoid logp 4.25 ALOGPS logs -4.78 ALOGPS solubility 1.08e-02 g/l ALOGPS melting_point Mp 238-240° logp 4.18 ChemAxon pka_strongest_acidic 3.42 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 6-[(8a-carboxy-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid ChemAxon average_mass 646.808 ChemAxon mono_mass 646.371697948 ChemAxon smiles CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2C1)C(O)=O ChemAxon formula C36H54O10 ChemAxon inchi InChI=1S/C36H54O10/c1-31(2)13-15-36(30(43)44)16-14-34(5)19(20(36)17-31)7-8-22-32(3)11-10-23(33(4,18-37)21(32)9-12-35(22,34)6)45-29-26(40)24(38)25(39)27(46-29)28(41)42/h7,18,20-27,29,38-40H,8-17H2,1-6H3,(H,41,42)(H,43,44) ChemAxon inchikey NUSHOJSYOLRGAX-UHFFFAOYSA-N ChemAxon polar_surface_area 170.82 ChemAxon refractivity 166.7 ChemAxon polarizability 71.08 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 5 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 9176 Specdb::MsMs 9177 Specdb::MsMs 9178 Specdb::MsMs 13013 Specdb::MsMs 13014 Specdb::MsMs 13015 Specdb::MsMs 15848 Specdb::MsMs 15849 Specdb::MsMs 15850 Specdb::MsMs 19685 Specdb::MsMs 19686 Specdb::MsMs 19687 Specdb::MsMs 2748562 Specdb::MsMs 2748563 Specdb::MsMs 2748564 Specdb::MsMs 2934312 Specdb::MsMs 2934313 Specdb::MsMs 2934314 Specdb::CMs 636778 Specdb::CMs 636779 Specdb::CMs 636780 Specdb::CMs 636781 Specdb::CMs 636782 Specdb::CMs 636783 Specdb::CMs 636784 Specdb::CMs 636785 Specdb::CMs 636786 Specdb::CMs 636787 Specdb::CMs 636788 Specdb::CMs 636789 Specdb::CMs 636790 Specdb::CMs 636791 Specdb::CMs 636792 Specdb::CMs 636793 Specdb::CMs 636794 Specdb::CMs 636795 Specdb::CMs 636796 Specdb::CMs 636797 Specdb::CMs 636798 Specdb::CMs 636799 Specdb::CMs 636800 Specdb::CMs 636801 Specdb::CMs 636802 HMDB34520 #<Reference:0x000055ce3234a9a8> Fruits Unknown generic