1.0 2010-04-08 22:14:49 UTC 2019-11-26 03:18:31 UTC FDB020134 1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->4)-6-acetyl-b-D-glucosyl-(1->2)-6-acetyl-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-(1->4)-6-acetyl-b-D-glucosyl-(1->2)-6-acetyl-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-(1->4)-6-acetyl-b-D-glucopyranosyl-(1->2)-6-acetyl-b-D-glucopyranosyl] ester 1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1->4)-6-acetyl-b-D-glucosyl-(1->2)-6-acetyl-b-D-glucosyl] ester C56H88O27 1193.2817 1192.55129761 6-[(acetyloxy)methyl]-3-({6-[(acetyloxy)methyl]-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)-4,5-dihydroxyoxan-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 6-[(acetyloxy)methyl]-3-({6-[(acetyloxy)methyl]-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)-4,5-dihydroxyoxan-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 155520-08-4 CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(COC(C)=O)C(O)C(O)C1OC1OC(COC(C)=O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O InChI=1S/C56H88O27/c1-21(14-32(61)23(3)29-10-11-30-28-9-8-26-15-27(76-51-45(70)41(66)38(63)33(17-57)77-51)16-37(62)56(26,7)31(28)12-13-55(29,30)6)22(2)50(73)83-54-49(43(68)40(65)35(79-54)19-74-24(4)59)82-53-47(72)44(69)48(36(80-53)20-75-25(5)60)81-52-46(71)42(67)39(64)34(18-58)78-52/h8,23,27-49,51-54,57-58,61-72H,9-20H2,1-7H3/b22-21- HVFSJXUIRWUHRG-DQRAZIAOSA-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 O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tricarboxylic acids and derivatives 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 O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroidal glycoside Terpene glycoside Tricarboxylic acid or derivatives logp -0.97 ALOGPS logs -3.04 ALOGPS solubility 1.08e+00 g/l ALOGPS logp -2.9 ChemAxon pka_strongest_acidic 11.75 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 6-[(acetyloxy)methyl]-3-({6-[(acetyloxy)methyl]-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)-4,5-dihydroxyoxan-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 1193.2817 ChemAxon mono_mass 1192.55129761 ChemAxon smiles CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(COC(C)=O)C(O)C(O)C1OC1OC(COC(C)=O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C56H88O27 ChemAxon inchi InChI=1S/C56H88O27/c1-21(14-32(61)23(3)29-10-11-30-28-9-8-26-15-27(76-51-45(70)41(66)38(63)33(17-57)77-51)16-37(62)56(26,7)31(28)12-13-55(29,30)6)22(2)50(73)83-54-49(43(68)40(65)35(79-54)19-74-24(4)59)82-53-47(72)44(69)48(36(80-53)20-75-25(5)60)81-52-46(71)42(67)39(64)34(18-58)78-52/h8,23,27-49,51-54,57-58,61-72H,9-20H2,1-7H3/b22-21- ChemAxon inchikey HVFSJXUIRWUHRG-DQRAZIAOSA-N ChemAxon polar_surface_area 426.73 ChemAxon refractivity 278.5 ChemAxon polarizability 123.64 ChemAxon rotatable_bond_count 21 ChemAxon acceptor_count 24 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 40182 Specdb::NmrOneD 40183 Specdb::NmrOneD 40184 Specdb::NmrOneD 40185 Specdb::NmrOneD 40186 Specdb::NmrOneD 40187 Specdb::NmrOneD 40188 Specdb::NmrOneD 40189 Specdb::NmrOneD 40190 Specdb::NmrOneD 40191 Specdb::NmrOneD 40192 Specdb::NmrOneD 40193 Specdb::NmrOneD 40194 Specdb::NmrOneD 40195 Specdb::NmrOneD 40196 Specdb::NmrOneD 40197 Specdb::NmrOneD 40198 Specdb::NmrOneD 40199 Specdb::NmrOneD 40200 Specdb::NmrOneD 40201 Specdb::MsMs 312346 Specdb::MsMs 312347 Specdb::MsMs 312348 Specdb::MsMs 357577 Specdb::MsMs 357578 Specdb::MsMs 357579 Specdb::MsMs 2364832 Specdb::MsMs 2364833 Specdb::MsMs 2364834 Specdb::MsMs 2597869 Specdb::MsMs 2597870 Specdb::MsMs 2597871 HMDB40402 #<Reference:0x000055ce32c74ad8> Fruits Unknown generic