1.0 2010-04-08 22:11:00 UTC 2019-11-26 03:09:21 UTC FDB013963 Fevicordin B 2-gentiobioside Constituent of Cyclanthera pedata (achoccha). Fevicordin B 2-gentiobioside is found in fruits. Fevicordin B 2-gentiobioside C43H64O18 868.9575 868.409265244 6-(5,13-dihydroxy-1,6,11,15-tetramethyl-17-oxo-4-{[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-trien-14-yl)-6-hydroxy-2-methyl-5-oxoheptan-2-yl acetate 6-(5,13-dihydroxy-1,6,11,15-tetramethyl-17-oxo-4-{[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-trien-14-yl)-6-hydroxy-2-methyl-5-oxoheptan-2-yl acetate 151589-22-9 CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CCC4=C(C)C(O)=C(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C=C4C3(C)C(=O)CC12C InChI=1S/C43H64O18/c1-18-20-9-10-26-40(5)14-22(46)36(43(8,56)27(47)11-12-39(3,4)61-19(2)45)41(40,6)15-28(48)42(26,7)21(20)13-23(29(18)49)58-38-35(55)33(53)31(51)25(60-38)17-57-37-34(54)32(52)30(50)24(16-44)59-37/h13,22,24-26,30-38,44,46,49-56H,9-12,14-17H2,1-8H3 VZFXZQQZJZPIGO-UHFFFAOYSA-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 11-oxosteroids 16-hydroxysteroids 3-hydroxysteroids Acetals Acyloins Alkyl glycosides Alpha-hydroxy ketones Carboxylic acid esters Cyclic alcohols and derivatives Disaccharides Fatty acyl glycosides of mono- and disaccharides Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenanthrenes and derivatives Phenolic glycosides Polyols Primary alcohols Secondary alcohols Steroid esters Tertiary alcohols Tetralins 11-oxosteroid 16-hydroxysteroid 20-hydroxysteroid 21-oxosteroid 22-oxosteroid 3-hydroxysteroid Acetal Acyloin Alcohol Alkyl glycoside Alpha-hydroxy ketone 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 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 Tetralin logp 1.36 ALOGPS logs -3.10 ALOGPS solubility 6.84e-01 g/l ALOGPS melting_point Mp 165-167° logp -0.038 ChemAxon pka_strongest_acidic 10.23 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 6-(5,13-dihydroxy-1,6,11,15-tetramethyl-17-oxo-4-{[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-trien-14-yl)-6-hydroxy-2-methyl-5-oxoheptan-2-yl acetate ChemAxon average_mass 868.9575 ChemAxon mono_mass 868.409265244 ChemAxon smiles CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CCC4=C(C)C(O)=C(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C=C4C3(C)C(=O)CC12C ChemAxon formula C43H64O18 ChemAxon inchi InChI=1S/C43H64O18/c1-18-20-9-10-26-40(5)14-22(46)36(43(8,56)27(47)11-12-39(3,4)61-19(2)45)41(40,6)15-28(48)42(26,7)21(20)13-23(29(18)49)58-38-35(55)33(53)31(51)25(60-38)17-57-37-34(54)32(52)30(50)24(16-44)59-37/h13,22,24-26,30-38,44,46,49-56H,9-12,14-17H2,1-8H3 ChemAxon inchikey VZFXZQQZJZPIGO-UHFFFAOYSA-N ChemAxon polar_surface_area 299.66 ChemAxon refractivity 211.04 ChemAxon polarizability 90.08 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 17 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 105261 Specdb::MsMs 105262 Specdb::MsMs 105263 Specdb::MsMs 171723 Specdb::MsMs 171724 Specdb::MsMs 171725 Specdb::MsMs 2454856 Specdb::MsMs 2454857 Specdb::MsMs 2454858 Specdb::MsMs 2484567 Specdb::MsMs 2484568 Specdb::MsMs 2484569 Specdb::NmrOneD 130858 Specdb::NmrOneD 130859 Specdb::NmrOneD 130860 Specdb::NmrOneD 130861 Specdb::NmrOneD 130862 Specdb::NmrOneD 130863 Specdb::NmrOneD 130864 Specdb::NmrOneD 130865 Specdb::NmrOneD 130866 Specdb::NmrOneD 130867 Specdb::NmrOneD 130868 Specdb::NmrOneD 130869 Specdb::NmrOneD 130870 Specdb::NmrOneD 130871 Specdb::NmrOneD 130872 Specdb::NmrOneD 130873 Specdb::NmrOneD 130874 Specdb::NmrOneD 130875 Specdb::NmrOneD 130876 Specdb::NmrOneD 130877 HMDB35296 #<Reference:0x000055ce322cedf8> Fruits Unknown generic