epigallocatechin gallate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2107
Total Number of Articles : 2881
PubChem 65064
Molecular Formula

C22H18O11

SMILES

C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

InChI

InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1

synonyms
  • (-)-Epigallocatechin gallate
  • EGCG
  • 989-51-5
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Properties
Property Value
MW 458.4 g/mol
HBD 8
HBA 11
Rotatable Bond Count 4
Exact Mass 458.08491139 g/mol
Monoisotopic Mass 458.08491139 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 667
xlogp 1.2
Topological Polar Surface Area 197