Bryostatins

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 99
Total Number of Articles : 101
PubChem 44277532
Molecular Formula

C47H68O17

SMILES

CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)/C[C@H]2CC(OC(=O)C[C@@H](C[C@@H]3C[C@@H](C([C@@](O3)(C[C@@H]4C/C(=C/C(=O)OC)/C[C@@H](O4)/C=C/C([C@@]1(O2)O)(C)C)O)(C)C)OC(=O)C)O)[C@@H](C)O

InChI

InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16+,30-20+,31-22+/t28-,32-,33+,34+,35-,36+,37?,38+,43+,46+,47-/m1/s1

synonyms
  • Bryostatins
  • CHEBI:3200
  • CHEMBL281926
Click to show/hide the synonyms
Properties
Property Value
MW 905.0 g/mol
HBD 4
HBA 17
Rotatable Bond Count 13
Exact Mass 904.44565070 g/mol
Monoisotopic Mass 904.44565070 g/mol
Heavy Atom Count 64
Isotope Atom Count 0
Atom Stereo Count 11
Covalent Unit Count 1
Complexity 1830
xlogp 4
Topological Polar Surface Area 240