epicatechin gallate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 181
Total Number of Articles : 139
PubChem 107905
Molecular Formula

C22H18O10

SMILES

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

InChI

InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1

synonyms
  • (-)-Epicatechin gallate
  • 1257-08-5
  • Epicatechin gallate
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Properties
Property Value
MW 442.4 g/mol
HBD 7
HBA 10
Rotatable Bond Count 4
Exact Mass 442.08999677 g/mol
Monoisotopic Mass 442.08999677 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 649
xlogp 1.5
Topological Polar Surface Area 177