1.0 2010-04-08 22:11:42 UTC 2019-11-26 03:11:17 UTC FDB015210 25-Acetyl-6,7-didehydrofevicordin F 3-[glucosyl-(1->6)-glucoside] Constituent of Cyclanthera pedata (achoccha). 25-Acetyl-6,7-didehydrofevicordin F 3-[glucosyl-(1->6)-glucoside] is found in fruits. 25-Acetyl-6,7-didehydrofevicordin F 3-[glucosyl-(1->6)-glucoside] 25-Acetyl-6,7-didehydrofevicordin F 3-O-[b-D-glucopyranosyl-(1->6)-b-D-glucopyranoside] C43H62O18 866.9416 866.39361518 (3E)-6-(4,13-dihydroxy-1,6,11,15-tetramethyl-17-oxo-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6,8-tetraen-14-yl)-5,6-dihydroxy-2-methylhept-3-en-2-yl acetate (3E)-6-(4,13-dihydroxy-1,6,11,15-tetramethyl-17-oxo-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6,8-tetraen-14-yl)-5,6-dihydroxy-2-methylhept-3-en-2-yl acetate 178062-91-4 CC(=O)OC(C)(C)\C=C\C(O)C(C)(O)C1C(O)CC2(C)C3C=CC4=C(C)C(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)=C(O)C=C4C3(C)C(=O)CC12C InChI=1S/C43H62O18/c1-18-20-9-10-26-40(5)14-23(47)36(43(8,56)27(48)11-12-39(3,4)61-19(2)45)41(40,6)15-28(49)42(26,7)21(20)13-22(46)35(18)60-38-34(55)32(53)30(51)25(59-38)17-57-37-33(54)31(52)29(50)24(16-44)58-37/h9-13,23-27,29-34,36-38,44,46-48,50-56H,14-17H2,1-8H3/b12-11+ SQETUVZNOCBWJQ-VAWYXSNFSA-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 Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 11-oxosteroids 16-hydroxysteroids Acetals Alkyl glycosides Carboxylic acid esters Cyclic alcohols and derivatives Disaccharides Fatty acyl glycosides of mono- and disaccharides Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Naphthalenes O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenanthrenes and derivatives Phenolic glycosides Polyols Primary alcohols Secondary alcohols Steroid esters Tertiary alcohols 1-hydroxy-2-unsubstituted benzenoid 11-oxosteroid 16-hydroxysteroid 2-hydroxysteroid 20-hydroxysteroid Acetal Alcohol Alkyl glycoside Aromatic heteropolycyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Disaccharide Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative Hydroxysteroid Ketone Monocarboxylic acid or derivatives Naphthalene O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxosteroid Phenanthrene Phenolic glycoside Polyol Primary alcohol Secondary alcohol Steroid ester Steroidal glycoside Tertiary alcohol logp 0.98 ALOGPS logs -3.33 ALOGPS solubility 4.06e-01 g/l ALOGPS logp -0.93 ChemAxon pka_strongest_acidic 9.9 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (3E)-6-(4,13-dihydroxy-1,6,11,15-tetramethyl-17-oxo-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6,8-tetraen-14-yl)-5,6-dihydroxy-2-methylhept-3-en-2-yl acetate ChemAxon average_mass 866.9416 ChemAxon mono_mass 866.39361518 ChemAxon smiles CC(=O)OC(C)(C)\C=C\C(O)C(C)(O)C1C(O)CC2(C)C3C=CC4=C(C)C(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)=C(O)C=C4C3(C)C(=O)CC12C ChemAxon formula C43H62O18 ChemAxon inchi InChI=1S/C43H62O18/c1-18-20-9-10-26-40(5)14-23(47)36(43(8,56)27(48)11-12-39(3,4)61-19(2)45)41(40,6)15-28(49)42(26,7)21(20)13-22(46)35(18)60-38-34(55)32(53)30(51)25(59-38)17-57-37-33(54)31(52)29(50)24(16-44)58-37/h9-13,23-27,29-34,36-38,44,46-48,50-56H,14-17H2,1-8H3/b12-11+ ChemAxon inchikey SQETUVZNOCBWJQ-VAWYXSNFSA-N ChemAxon polar_surface_area 302.82 ChemAxon refractivity 213.79 ChemAxon polarizability 89.24 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 17 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 83607 Specdb::MsMs 83608 Specdb::MsMs 83609 Specdb::MsMs 145251 Specdb::MsMs 145252 Specdb::MsMs 145253 Specdb::MsMs 2319026 Specdb::MsMs 2319027 Specdb::MsMs 2319028 Specdb::MsMs 2619197 Specdb::MsMs 2619198 Specdb::MsMs 2619199 HMDB36339 #<Reference:0x000055ce3226c1a8> Fruits Unknown generic