Lignans

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 192
Total Number of Articles : 229
PubChem 443013
Molecular Formula

C22H22O8

SMILES

COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H]3C(COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O

InChI

InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13?,18-,19-,20+/m1/s1

synonyms
  • Lignans
  • epipodophyllotoxins
  • (5R,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
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Properties
Property Value
MW 414.4 g/mol
HBD 1
HBA 8
Rotatable Bond Count 4
Exact Mass 414.13146766 g/mol
Monoisotopic Mass 414.13146766 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 629
xlogp 2
Topological Polar Surface Area 92.7