bafilomycin A1

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 236
Total Number of Articles : 245
PubChem 6436223
Molecular Formula

C35H58O9

SMILES

C[C@H]1C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)O)O)O)OC)/C

InChI

InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17-/t22-,23+,24-,25-,26-,27+,28-,30-,31+,32+,33+,35+/m0/s1

synonyms
  • bafilomycin A1
  • 88899-55-2
  • CHEBI:22689
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Properties
Property Value
MW 622.8 g/mol
HBD 4
HBA 9
Rotatable Bond Count 7
Exact Mass 622.40808342 g/mol
Monoisotopic Mass 622.40808342 g/mol
Heavy Atom Count 44
Isotope Atom Count 0
Atom Stereo Count 12
Covalent Unit Count 1
Complexity 1060
xlogp 6
Topological Polar Surface Area 135