1.0 2010-04-08 22:15:25 UTC 2019-11-26 03:19:46 UTC FDB021015 2a-Hydroxygypsogenin 3-O-b-D-glucoside Constituent of smooth luffa (Luffa cylindrica) leaves (the gourd and not the leaves of the plant is a food source). 2a-Hydroxygypsogenin 3-O-b-D-glucoside is found in fruits. (2a,3b)-Dihydroxy-23-oxo-12-oleanen-28-oic acid 3-O-b-D-glucopyranoside 2a-Hydroxygypsogenin 3-O-b-D-glucoside 2alpha-Hydroxygypsogenin 3-O-b-D-glucopyranoside 2alpha-Hydroxygypsogenin 3-O-b-D-glucoside C36H56O10 648.8238 648.387348012 9-formyl-11-hydroxy-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 9-formyl-11-hydroxy-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 617-45-8 CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC34C)C2C1)C(O)=O InChI=1S/C36H56O10/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/h7,18,20-29,37,39-42H,8-17H2,1-6H3,(H,43,44) UMZJDWXXVAQSPZ-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 Aldehydes 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 Aldehyde 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 3.28 ALOGPS logs -3.97 ALOGPS solubility 7.03e-02 g/l ALOGPS logp 2.78 ChemAxon pka_strongest_acidic 4.74 ChemAxon pka_strongest_basic -3 ChemAxon iupac 9-formyl-11-hydroxy-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 648.8238 ChemAxon mono_mass 648.387348012 ChemAxon smiles CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC34C)C2C1)C(O)=O ChemAxon formula C36H56O10 ChemAxon inchi InChI=1S/C36H56O10/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/h7,18,20-29,37,39-42H,8-17H2,1-6H3,(H,43,44) ChemAxon inchikey UMZJDWXXVAQSPZ-UHFFFAOYSA-N ChemAxon polar_surface_area 173.98 ChemAxon refractivity 168.19 ChemAxon polarizability 71.93 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 317368 Specdb::MsMs 317369 Specdb::MsMs 317370 Specdb::MsMs 363820 Specdb::MsMs 363821 Specdb::MsMs 363822 Specdb::MsMs 2321605 Specdb::MsMs 2321606 Specdb::MsMs 2321607 Specdb::MsMs 2613169 Specdb::MsMs 2613170 Specdb::MsMs 2613171 Specdb::CMs 640245 Specdb::CMs 640246 Specdb::CMs 640247 Specdb::CMs 640248 Specdb::CMs 640249 Specdb::CMs 640250 Specdb::CMs 640251 Specdb::CMs 640252 Specdb::CMs 640253 Specdb::CMs 640254 Specdb::CMs 640255 Specdb::CMs 640256 Specdb::CMs 640257 Specdb::CMs 640258 Specdb::CMs 640259 Specdb::CMs 640260 Specdb::CMs 640261 Specdb::CMs 640262 Specdb::CMs 640263 Specdb::CMs 640264 Specdb::CMs 640265 Specdb::CMs 640266 Specdb::CMs 640267 Specdb::CMs 640268 Specdb::CMs 640269 HMDB41132 #<Reference:0x000055ce30e06178> Fruits Unknown generic