corilagin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 113
Total Number of Articles : 57
PubChem 73568
Molecular Formula

C27H22O18

SMILES

C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)O

InChI

InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1

synonyms
  • Corilagin
  • 23094-69-1
  • CHEBI:3884
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Properties
Property Value
MW 634.5 g/mol
HBD 11
HBA 18
Rotatable Bond Count 3
Exact Mass 634.08061385 g/mol
Monoisotopic Mass 634.08061385 g/mol
Heavy Atom Count 45
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 1090
xlogp 0.1
Topological Polar Surface Area 311