1-o-caffeoylglucose

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 6124135
Molecular Formula

C15H18O9

SMILES

C1=CC(=C(C=C1/C=C/C(=O)OC2C(C(C(C(O2)CO)O)O)O)O)O

InChI

InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/b4-2+

synonyms
  • 1-o-caffeoylglucose
  • Caffeic acid hexoside
  • Caffeic-beta-D-gluside
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Properties
Property Value
MW 342.30 g/mol
HBD 6
HBA 9
Rotatable Bond Count 5
Exact Mass 342.09508215 g/mol
Monoisotopic Mass 342.09508215 g/mol
Heavy Atom Count 24
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 454
xlogp -0.6
Topological Polar Surface Area 157