1.0 2010-04-08 22:11:42 UTC 2019-11-26 03:11:17 UTC FDB015209 25-Acetyl-6,7-didehydrofevicordin F 3-glucoside Constituent of Cyclanthera pedata (achoccha). 25-Acetyl-6,7-didehydrofevicordin F 3-glucoside is found in fruits. 25-Acetyl-6,7-didehydrofevicordin F 3-glucoside 25-Acetyl-6,7-didehydrofevicordin F 3-O-b-D-glucopyranoside 25-Acetyl-6,7-didehydrofevicordin F 3-O-b-D-glucoside C37H52O13 704.801 704.34079175 (3E)-6-(4,13-dihydroxy-1,6,11,15-tetramethyl-17-oxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)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-(hydroxymethyl)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 178062-92-5 CC(=O)OC(C)(C)\C=C\C(O)C(C)(O)C1C(O)CC2(C)C3C=CC4=C(C)C(OC5OC(CO)C(O)C(O)C5O)=C(O)C=C4C3(C)C(=O)CC12C InChI=1S/C37H52O13/c1-17-19-9-10-24-34(5)14-22(41)31(37(8,47)25(42)11-12-33(3,4)50-18(2)39)35(34,6)15-26(43)36(24,7)20(19)13-21(40)30(17)49-32-29(46)28(45)27(44)23(16-38)48-32/h9-13,22-25,27-29,31-32,38,40-42,44-47H,14-16H2,1-8H3/b12-11+ VQSXXDZNKZUVNA-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 Fatty acyl glycosides of mono- and disaccharides Hexoses 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 Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxysteroid Ketone Monocarboxylic acid or derivatives Monosaccharide 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 2.03 ALOGPS logs -3.85 ALOGPS solubility 1.01e-01 g/l ALOGPS melting_point Mp 140-145° logp 0.84 ChemAxon pka_strongest_acidic 9.9 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac (3E)-6-(4,13-dihydroxy-1,6,11,15-tetramethyl-17-oxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)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 704.801 ChemAxon mono_mass 704.34079175 ChemAxon smiles CC(=O)OC(C)(C)\C=C\C(O)C(C)(O)C1C(O)CC2(C)C3C=CC4=C(C)C(OC5OC(CO)C(O)C(O)C5O)=C(O)C=C4C3(C)C(=O)CC12C ChemAxon formula C37H52O13 ChemAxon inchi InChI=1S/C37H52O13/c1-17-19-9-10-24-34(5)14-22(41)31(37(8,47)25(42)11-12-33(3,4)50-18(2)39)35(34,6)15-26(43)36(24,7)20(19)13-21(40)30(17)49-32-29(46)28(45)27(44)23(16-38)48-32/h9-13,22-25,27-29,31-32,38,40-42,44-47H,14-16H2,1-8H3/b12-11+ ChemAxon inchikey VQSXXDZNKZUVNA-VAWYXSNFSA-N ChemAxon polar_surface_area 223.67 ChemAxon refractivity 181.38 ChemAxon polarizability 74.13 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 12 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 54831 Specdb::MsMs 54832 Specdb::MsMs 54833 Specdb::MsMs 139656 Specdb::MsMs 139657 Specdb::MsMs 139658 Specdb::MsMs 2813225 Specdb::MsMs 2813226 Specdb::MsMs 2813227 Specdb::MsMs 2896356 Specdb::MsMs 2896357 Specdb::MsMs 2896358 Specdb::CMs 751333 Specdb::CMs 751334 Specdb::CMs 751335 Specdb::CMs 751336 Specdb::CMs 751337 Specdb::CMs 751338 Specdb::CMs 751339 Specdb::CMs 751340 Specdb::CMs 751341 Specdb::CMs 751342 Specdb::CMs 751343 Specdb::CMs 751344 Specdb::CMs 751345 Specdb::CMs 751346 Specdb::CMs 751347 Specdb::CMs 751348 Specdb::CMs 751349 Specdb::CMs 751350 Specdb::CMs 751351 Specdb::CMs 751352 Specdb::CMs 751353 Specdb::CMs 751354 Specdb::CMs 751355 Specdb::CMs 751356 Specdb::CMs 751357 HMDB36338 #<Reference:0x000055ce308610d8> Fruits Unknown generic