tubacin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 69
Total Number of Articles : 82
PubChem 6675804
Molecular Formula

C41H43N3O7S

SMILES

C1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO)CSC4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1

synonyms
  • Tubacin
  • 537049-40-4
  • AC1O7Y2P
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Properties
Property Value
MW 721.9 g/mol
HBD 4
HBA 9
Rotatable Bond Count 16
Exact Mass 721.28217189 g/mol
Monoisotopic Mass 721.28217189 g/mol
Heavy Atom Count 52
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 1060
xlogp 6.3
Topological Polar Surface Area 168