4'-demethylepipodophyllotoxin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 15
Total Number of Articles : 16
PubChem 122797
Molecular Formula

C21H20O8

SMILES

COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O

InChI

InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18-,19+/m0/s1

synonyms
  • 4'-Demethylepipodophyllotoxin
  • 6559-91-7
  • (-)-4'-Demethylepipodophyllotoxin
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Properties
Property Value
MW 400.4 g/mol
HBD 2
HBA 8
Rotatable Bond Count 3
Exact Mass 400.11581759 g/mol
Monoisotopic Mass 400.11581759 g/mol
Heavy Atom Count 29
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 614
xlogp 1.7
Topological Polar Surface Area 104