Digitoxin, acetate, beta-

[4-hydroxy-6-[4-hydroxy-6-[4-hydroxy-6-[[14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl] acetate

Also Known As: beta-Acetyldigitoxin|Decanoyl-coenzyme A|Digitoxin, acetate, beta-|Digitoxin, 4'''-acetate|4-18-00-01479 (Beilstein Handbook Reference)|Digitoxigenin + 2-digitoxose + 1-acetyl-(4)-digitose|Digitoxigenin + 2-digitoxose + acetyl-(3)-digitoxose|Digitoxigenin + 2-digitoxose + 1-acetyl-(4)-digitose [German]|Digitoxigenin + 2-digitoxose + acetyl-(3)-digitoxose [German]|3-{[4-o-acetyl-2,6-dideoxyhexopyranosyl-(1-|[4-hydroxy-6-[4-hydroxy-6-[4-hydroxy-6-[[14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl] acetate|3-{[4-o-acetyl-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide|Card-20(22)-enolide, 3-[(O-4-O-acetyl-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.)-

Molecular Formula	C43H66O14
Molecular Weight	806.44525 g/mol
LogP	2.8
Topological Polar Surface Area	189.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	14
Rotatable Bonds	9
Exact Mass	806.44525
Monoisotopic Mass	806.44525
Heavy Atoms	57
Complexity	1520.0

Chemical Identifiers

CAS Number	5410-41-3
SMILES	CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC(=O)C)O)O
InChIKey	AFTNEYIAJGSGIX-UHFFFAOYSA-N