rocaglamide

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 64
Total Number of Articles : 44
PubChem 331783
Molecular Formula

C29H31NO7

SMILES

CN(C)C(=O)[C@@H]1[C@H]([C@]2([C@@]([C@@H]1O)(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1

synonyms
  • Rocaglamide
  • 84573-16-0
  • Roc-A
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Properties
Property Value
MW 505.6 g/mol
HBD 2
HBA 7
Rotatable Bond Count 6
Exact Mass 505.21005233 g/mol
Monoisotopic Mass 505.21005233 g/mol
Heavy Atom Count 37
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 810
xlogp 2.8
Topological Polar Surface Area 97.7