Digoxin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 416
Total Number of Articles : 1066
PubChem 2724385
Molecular Formula

C41H64O14

SMILES

C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O

InChI

InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1

synonyms
  • digoxin
  • 20830-75-5
  • Lanoxin
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Properties
Property Value
MW 780.9 g/mol
HBD 6
HBA 14
Rotatable Bond Count 7
Exact Mass 780.42960671 g/mol
Monoisotopic Mass 780.42960671 g/mol
Heavy Atom Count 55
Isotope Atom Count 0
Atom Stereo Count 21
Covalent Unit Count 1
Complexity 1450
xlogp 1.3
Topological Polar Surface Area 203