salinomycin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 226
Total Number of Articles : 198
PubChem 3085092
Molecular Formula

C42H70O11

SMILES

CC[C@H]([C@H]1CC[C@@H]([C@@H](O1)[C@@H](C)[C@@H]([C@H](C)C(=O)[C@H](CC)[C@@H]2[C@H](C[C@H]([C@]3(O2)C=C[C@H]([C@@]4(O3)CC[C@@](O4)(C)[C@H]5CC[C@@]([C@@H](O5)C)(CC)O)O)C)C)O)C)C(=O)O

InChI

InChI=1S/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-/m0/s1

synonyms
  • salinomycin
  • Procoxacin
  • 53003-10-4
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Properties
Property Value
MW 751.0 g/mol
HBD 4
HBA 11
Rotatable Bond Count 12
Exact Mass 750.49181304 g/mol
Monoisotopic Mass 750.49181304 g/mol
Heavy Atom Count 53
Isotope Atom Count 0
Atom Stereo Count 18
Covalent Unit Count 1
Complexity 1320
xlogp 5.7
Topological Polar Surface Area 161