1.0 2010-04-08 22:10:20 UTC 2025-11-18 23:39:07 UTC FDB012731 Convallatoxin Constituent of Convallaria majalis. Convallaria majalis has been designated unsafe for inclusion in foods etc. by USA FDA. Convallaton Convallatoxin Convallatoxoside Convallopan Convallotoxin Convalpur Convapur Corglycone Corglykon Degluco-cheirotoxin Korglykon Rhamnoside, strophanthidin-3, &alpha;-L- Strophanthidin 3-O-alpha-L-rhamnoside Strophanthidin, 3-(6-deoxy-&alpha;-L-mannopyranoside) Strophanthidin, 3-(6-deoxy-alpha-L-mannopyranoside) C29H42O10 550.6378 550.277797564 7,11-dihydroxy-15-methyl-14-(5-oxo-2,5-dihydrofuran-3-yl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-2-carbaldehyde convallatoxin 5822-57-1 CC1OC(OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1O InChI=1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3 HULMNSIAKWANQO-UHFFFAOYSA-N belongs to the class of organic compounds known as cardenolide glycosides and derivatives. Cardenolide glycosides and derivatives are compounds containing a carbohydrate glycosidically bound to the cardenolide moiety. Cardenolide glycosides and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Aliphatic heteropolycyclic compounds 14-hydroxysteroids 19-oxosteroids Acetals Aldehydes Butenolides Cyclic alcohols and derivatives Enoate esters Hexoses Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Secondary alcohols Steroidal glycosides Tertiary alcohols 14-hydroxysteroid 19-oxosteroid 2-furanone 5-hydroxysteroid Acetal Alcohol Aldehyde Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cardanolide-glycoside Cyclic alcohol Dihydrofuran Enoate ester Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxysteroid Lactone Monocarboxylic acid or derivatives Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxosteroid Polyol Secondary alcohol Steroidal glycoside Tertiary alcohol logp 0.14 ALOGPS logs -3.03 ALOGPS solubility 5.18e-01 g/l ALOGPS melting_point Mp 247° (235-242) logp 0.14 ChemAxon pka_strongest_acidic 7.18 ChemAxon pka_strongest_basic 0.27 ChemAxon iupac 7,11-dihydroxy-15-methyl-14-(5-oxo-2,5-dihydrofuran-3-yl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-2-carbaldehyde ChemAxon average_mass 550.6378 ChemAxon mono_mass 550.277797564 ChemAxon smiles CC1OC(OC2CCC3(C=O)C4CCC5(C)C(CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1O ChemAxon formula C29H42O10 ChemAxon inchi InChI=1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3 ChemAxon inchikey HULMNSIAKWANQO-UHFFFAOYSA-N ChemAxon polar_surface_area 162.98 ChemAxon refractivity 136.79 ChemAxon polarizability 58.87 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16835 Specdb::MsMs 6986 Specdb::MsMs 6987 Specdb::MsMs 6988 Specdb::MsMs 9164 Specdb::MsMs 9165 Specdb::MsMs 9166 Specdb::MsMs 12971 Specdb::MsMs 12972 Specdb::MsMs 12973 Specdb::MsMs 13658 Specdb::MsMs 13659 Specdb::MsMs 13660 Specdb::MsMs 15836 Specdb::MsMs 15837 Specdb::MsMs 15838 Specdb::MsMs 19643 Specdb::MsMs 19644 Specdb::MsMs 19645 Specdb::MsMs 2437297 Specdb::MsMs 2437298 Specdb::MsMs 2437299 Specdb::MsMs 2529144 Specdb::MsMs 2529145 Specdb::MsMs 2529146 HMDB34362 27663 #<Reference:0x000055ce32f78cc0>