Epothilones

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 34
Total Number of Articles : 42
PubChem 448799
Molecular Formula

C26H39NO6S

SMILES

C[C@H]1CCC[C@@H]2[C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C

InChI

InChI=1S/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19+,20-,21-,22-,24-/m0/s1

synonyms
  • Epothilone A
  • 152044-53-6
  • (-)-Epothilone A
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Properties
Property Value
MW 493.7 g/mol
HBD 2
HBA 8
Rotatable Bond Count 2
Exact Mass 493.24980914 g/mol
Monoisotopic Mass 493.24980914 g/mol
Heavy Atom Count 34
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 770
xlogp 4
Topological Polar Surface Area 138