bufalin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 298
Total Number of Articles : 219
PubChem 9547215
Molecular Formula

C24H34O4

SMILES

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O

InChI

InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1

synonyms
  • bufalin
  • 465-21-4
  • CHEBI:517248
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Properties
Property Value
MW 386.5 g/mol
HBD 2
HBA 4
Rotatable Bond Count 1
Exact Mass 386.24570956 g/mol
Monoisotopic Mass 386.24570956 g/mol
Heavy Atom Count 28
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 741
xlogp 3.2
Topological Polar Surface Area 66.8