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3'''-O-acetyldigitoxin
A cardenolide glycoside compound consisting of digitoxin having an acetyl substituent at the 3-position on the D-ribo-hexopyranosyl residue at the non-reducing end.


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03. Biological Effects of Specific Chemicals: biochemical uses [CHEBI:52206] > enzyme inhibitor [CHEBI:23924] > 3'''-O-acetyldigitoxin [CHEBI:53773]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 enzyme inhibitor [CHEBI:23924] (825) 
 3'''-O-acetyldigitoxin [CHEBI:53773] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 cardiovascular drug [CHEBI:35554] (162) 
 anti-arrhythmia drug [CHEBI:38070] (56) 
 3'''-O-acetyldigitoxin [CHEBI:53773] (1)
 cardiotonic drug [CHEBI:38147] (19) 
 3'''-O-acetyldigitoxin [CHEBI:53773] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 organooxygen compound [CHEBI:36963] (11352) 
 glycosyl compound [CHEBI:63161] (1006) 
 glycoside [CHEBI:24400] (633) 
 cardenolide glycoside [CHEBI:38092] (22) 
 3'''-O-acetyldigitoxin [CHEBI:53773] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 glycosyl compound [CHEBI:63161] (1006) 
 glycoside [CHEBI:24400] (633) 
 cardenolide glycoside [CHEBI:38092] (22) 
 3'''-O-acetyldigitoxin [CHEBI:53773] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 glycosyl compound [CHEBI:63161] (1006) 
 glycoside [CHEBI:24400] (633) 
 cardenolide glycoside [CHEBI:38092] (22) 
 3'''-O-acetyldigitoxin [CHEBI:53773] (1)
ChEBI Compound Accession Identifier  [CHEBI:53773]
ChEBI Compound Description  A cardenolide glycoside compound consisting of digitoxin having an acetyl substituent at the 3-position on the D-ribo-hexopyranosyl residue at the non-reducing end.
ChEBI Compound Identification Number  53773
ChEBI InChI Value  InChI=1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1
ChEBI InChIKey Value  HPMZBILYSWLILX-UMDUKNJSSA-N
ChEBI Compound Name  3'''-O-acetyldigitoxin
ChEBI SMILES Value  [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(C)=O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1
ChEBI Substance ID  87246632
ChEBI URL  ChEBI:53773
ChemSpider ID  NS
Ontomatica Chemical Accession Key (OnChAKey)  HPMZBILYSWLILX_UMDUKNJSSA_N_000_000000
PubChem Compound ID  5284512