rocaglaol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 3
Total Number of Articles : 2
PubChem 393602
Molecular Formula

C26H26O6

SMILES

COC1=CC=C(C=C1)[C@]23[C@@H](C[C@H]([C@]2(C4=C(O3)C=C(C=C4OC)OC)O)O)C5=CC=CC=C5

InChI

InChI=1S/C26H26O6/c1-29-18-11-9-17(10-12-18)26-20(16-7-5-4-6-8-16)15-23(27)25(26,28)24-21(31-3)13-19(30-2)14-22(24)32-26/h4-14,20,23,27-28H,15H2,1-3H3/t20-,23+,25+,26-/m0/s1

synonyms
  • Rocaglaol
  • 147059-46-9
  • (1R,3S,3aR,8bS)-6,8-Dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-1,8b-diol
Click to show/hide the synonyms
Properties
Property Value
MW 434.5 g/mol
HBD 2
HBA 6
Rotatable Bond Count 5
Exact Mass 434.17293854 g/mol
Monoisotopic Mass 434.17293854 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 644
xlogp 3.2
Topological Polar Surface Area 77.4