1.0 2010-04-08 22:14:49 UTC 2019-11-26 03:18:30 UTC FDB020130 1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-b-D-glucosyl ester Constituent of Physalis peruviana (Cape gooseberry). 1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-b-D-glucosyl ester is found in fruits. 1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucopyranoside 26-O-b-D-glucopyranosyl ester 1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-b-D-glucosyl ester C40H64O15 784.9272 784.424521378 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2Z)-5-hydroxy-6-(3-hydroxy-2,15-dimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl)-2,3-dimethylhept-2-enoate 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2Z)-5-hydroxy-6-(3-hydroxy-2,15-dimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl)-2,3-dimethylhept-2-enoate 155510-72-8 CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(CO)C(O)C(O)C1O)C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O InChI=1S/C40H64O15/c1-17(18(2)36(51)55-38-35(50)33(48)31(46)28(16-42)54-38)12-26(43)19(3)23-8-9-24-22-7-6-20-13-21(52-37-34(49)32(47)30(45)27(15-41)53-37)14-29(44)40(20,5)25(22)10-11-39(23,24)4/h6,19,21-35,37-38,41-50H,7-16H2,1-5H3/b18-17- JPXWUHUTNQDPDE-ZCXUNETKSA-N belongs to the class of organic compounds known as steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton. Steroidal glycosides Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides Aliphatic heteropolycyclic compounds 1-hydroxysteroids Acetals Carbonyl compounds Cyclic alcohols and derivatives Delta-5-steroids Dihydroxy bile acids, alcohols and derivatives Diterpene glycosides Diterpenoids Enoate esters Ergostane steroids Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols 1-hydroxysteroid 22-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Bile acid, alcohol, or derivatives Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Delta-5-steroid Dihydroxy bile acid, alcohol, or derivatives Diterpene glycoside Diterpenoid Enoate ester Ergostane-skeleton Glycosyl compound Hydrocarbon derivative 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 Steroidal glycoside Terpene glycoside logp -0.26 ALOGPS logs -3.37 ALOGPS solubility 3.34e-01 g/l ALOGPS logp -0.28 ChemAxon pka_strongest_acidic 11.9 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2Z)-5-hydroxy-6-(3-hydroxy-2,15-dimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl)-2,3-dimethylhept-2-enoate ChemAxon average_mass 784.9272 ChemAxon mono_mass 784.424521378 ChemAxon smiles CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(CO)C(O)C(O)C1O)C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C40H64O15 ChemAxon inchi InChI=1S/C40H64O15/c1-17(18(2)36(51)55-38-35(50)33(48)31(46)28(16-42)54-38)12-26(43)19(3)23-8-9-24-22-7-6-20-13-21(52-37-34(49)32(47)30(45)27(15-41)53-37)14-29(44)40(20,5)25(22)10-11-39(23,24)4/h6,19,21-35,37-38,41-50H,7-16H2,1-5H3/b18-17- ChemAxon inchikey JPXWUHUTNQDPDE-ZCXUNETKSA-N ChemAxon polar_surface_area 256.29 ChemAxon refractivity 195.37 ChemAxon polarizability 85.63 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 14 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 785847 Specdb::CMs 785848 Specdb::CMs 785849 Specdb::CMs 785850 Specdb::CMs 785851 Specdb::CMs 785852 Specdb::CMs 785853 Specdb::CMs 785854 Specdb::CMs 785855 Specdb::CMs 785856 Specdb::CMs 785857 Specdb::CMs 785858 Specdb::CMs 785859 Specdb::CMs 785860 Specdb::CMs 785861 Specdb::CMs 785862 Specdb::CMs 785863 Specdb::CMs 785864 Specdb::CMs 785865 Specdb::CMs 785866 Specdb::MsMs 295942 Specdb::MsMs 295943 Specdb::MsMs 295944 Specdb::MsMs 337114 Specdb::MsMs 337115 Specdb::MsMs 337116 Specdb::MsMs 2364358 Specdb::MsMs 2364359 Specdb::MsMs 2364360 Specdb::MsMs 2602076 Specdb::MsMs 2602077 Specdb::MsMs 2602078 Specdb::NmrOneD 40102 Specdb::NmrOneD 40103 Specdb::NmrOneD 40104 Specdb::NmrOneD 40105 Specdb::NmrOneD 40106 Specdb::NmrOneD 40107 Specdb::NmrOneD 40108 Specdb::NmrOneD 40109 Specdb::NmrOneD 40110 Specdb::NmrOneD 40111 Specdb::NmrOneD 40112 Specdb::NmrOneD 40113 Specdb::NmrOneD 40114 Specdb::NmrOneD 40115 Specdb::NmrOneD 40116 Specdb::NmrOneD 40117 Specdb::NmrOneD 40118 Specdb::NmrOneD 40119 Specdb::NmrOneD 40120 Specdb::NmrOneD 40121 HMDB40398 #<Reference:0x000055ce325488e0> Fruits Unknown generic