1.0 2010-04-08 22:14:49 UTC 2019-11-26 03:18:31 UTC FDB020138 26-(2-Glucosyl-6-acetylglucosyl]-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate Constituent of Physalis peruviana (Cape gooseberry). 26-(2-Glucosyl-6-acetylglucosyl]-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate is found in fruits. 26-(2-Glucosyl-6-acetylglucosyl]-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate 26-O-[b-D-glucopyranosyl-(1->2)-6-acetyl-b-D-glucopyranosyl]-1a,3b,11b,22R-tetrahydroxyergosta-5,24E-dien-26-oate C42H66O17 842.9632 842.430000686 6-[(acetyloxy)methyl]-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (2Z)-5-hydroxy-2,3-dimethyl-6-{3,5,17-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl}hept-2-enoate 6-[(acetyloxy)methyl]-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (2Z)-5-hydroxy-2,3-dimethyl-6-{3,5,17-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl}hept-2-enoate 155510-76-2 CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(COC(C)=O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3C(O)CC12C InChI=1S/C42H66O17/c1-17(11-26(46)19(3)24-9-10-25-23-8-7-21-12-22(45)13-30(48)42(21,6)31(23)27(47)14-41(24,25)5)18(2)38(54)59-40-37(35(52)33(50)29(57-40)16-55-20(4)44)58-39-36(53)34(51)32(49)28(15-43)56-39/h7,19,22-37,39-40,43,45-53H,8-16H2,1-6H3/b18-17- CRRPFFTZRFACDM-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 11-hydroxysteroids 3-hydroxy delta-5-steroids Acetals Carbonyl compounds Cyclic alcohols and derivatives Delta-5-steroids Dicarboxylic acids and derivatives Disaccharides Enoate esters Ergosterols and derivatives Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tetrahydroxy bile acids, alcohols and derivatives 1-hydroxysteroid 11-hydroxysteroid 22-hydroxysteroid 3-hydroxy-delta-5-steroid 3-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 Dicarboxylic acid or derivatives Disaccharide Enoate ester Ergostane-skeleton Ergosterol-skeleton Glycosyl compound Hydrocarbon derivative Hydroxy bile acid, alcohol, or derivatives Hydroxysteroid O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroidal glycoside Tetrahydroxy bile acid, alcohol, or derivatives logp -0.46 ALOGPS logs -3.16 ALOGPS solubility 5.81e-01 g/l ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 12.09 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 6-[(acetyloxy)methyl]-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl (2Z)-5-hydroxy-2,3-dimethyl-6-{3,5,17-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl}hept-2-enoate ChemAxon average_mass 842.9632 ChemAxon mono_mass 842.430000686 ChemAxon smiles CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(COC(C)=O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3C(O)CC12C ChemAxon formula C42H66O17 ChemAxon inchi InChI=1S/C42H66O17/c1-17(11-26(46)19(3)24-9-10-25-23-8-7-21-12-22(45)13-30(48)42(21,6)31(23)27(47)14-41(24,25)5)18(2)38(54)59-40-37(35(52)33(50)29(57-40)16-55-20(4)44)58-39-36(53)34(51)32(49)28(15-43)56-39/h7,19,22-37,39-40,43,45-53H,8-16H2,1-6H3/b18-17- ChemAxon inchikey CRRPFFTZRFACDM-ZCXUNETKSA-N ChemAxon polar_surface_area 282.59 ChemAxon refractivity 206.12 ChemAxon polarizability 88.57 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 15 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 301507 Specdb::MsMs 301508 Specdb::MsMs 301509 Specdb::MsMs 344038 Specdb::MsMs 344039 Specdb::MsMs 344040 Specdb::MsMs 2682210 Specdb::MsMs 2682211 Specdb::MsMs 2682212 Specdb::MsMs 3027321 Specdb::MsMs 3027322 Specdb::MsMs 3027323 Specdb::NmrOneD 40242 Specdb::NmrOneD 40243 Specdb::NmrOneD 40244 Specdb::NmrOneD 40245 Specdb::NmrOneD 40246 Specdb::NmrOneD 40247 Specdb::NmrOneD 40248 Specdb::NmrOneD 40249 Specdb::NmrOneD 40250 Specdb::NmrOneD 40251 Specdb::NmrOneD 40252 Specdb::NmrOneD 40253 Specdb::NmrOneD 40254 Specdb::NmrOneD 40255 Specdb::NmrOneD 40256 Specdb::NmrOneD 40257 Specdb::NmrOneD 40258 Specdb::NmrOneD 40259 Specdb::NmrOneD 40260 Specdb::NmrOneD 40261 HMDB40406 #<Reference:0x000055ce32180898> Fruits Unknown generic