GROSSAMIDE

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 6
Total Number of Articles : 2
PubChem 101262727
Molecular Formula

C36H36N2O8

SMILES

COC1=CC(=CC2=C1O[C@@H]([C@H]2C(=O)NCCC3=CC=C(C=C3)O)C4=CC(=C(C=C4)O)OC)/C=C/C(=O)NCCC5=CC=C(C=C5)O

InChI

InChI=1S/C36H36N2O8/c1-44-30-21-25(8-13-29(30)41)34-33(36(43)38-18-16-23-5-11-27(40)12-6-23)28-19-24(20-31(45-2)35(28)46-34)7-14-32(42)37-17-15-22-3-9-26(39)10-4-22/h3-14,19-21,33-34,39-41H,15-18H2,1-2H3,(H,37,42)(H,38,43)/b14-7+/t33-,34+/m0/s1

synonyms
  • GROSSAMIDE
  • 80510-06-1
  • UNII-63RFK5Z1GK
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Properties
Property Value
MW 624.7 g/mol
HBD 5
HBA 8
Rotatable Bond Count 12
Exact Mass 624.24716611 g/mol
Monoisotopic Mass 624.24716611 g/mol
Heavy Atom Count 46
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 994
xlogp 4.9
Topological Polar Surface Area 147