cinobufagin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 90
Total Number of Articles : 49
PubChem 11969542
Molecular Formula

C26H34O6

SMILES

CC(=O)O[C@@H]1[C@@H]([C@]2(CC[C@H]3[C@H]([C@@]24[C@@H]1O4)CC[C@H]5[C@@]3(CC[C@@H](C5)O)C)C)C6=COC(=O)C=C6

InChI

InChI=1S/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3/t16-,17+,18+,19-,21+,22-,23-,24+,25-,26-/m1/s1

synonyms
  • Cinobufagin
  • 470-37-1
  • Cinobufagine
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Properties
Property Value
MW 442.5 g/mol
HBD 1
HBA 6
Rotatable Bond Count 3
Exact Mass 442.23553880 g/mol
Monoisotopic Mass 442.23553880 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 10
Covalent Unit Count 1
Complexity 923
xlogp 3.3
Topological Polar Surface Area 85.4