rosmarinic acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 443
Total Number of Articles : 309
PubChem 5281792
Molecular Formula

C18H16O8

SMILES

C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O

InChI

InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1

synonyms
  • rosmarinic acid
  • 20283-92-5
  • Rosemary acid
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Properties
Property Value
MW 360.3 g/mol
HBD 5
HBA 8
Rotatable Bond Count 7
Exact Mass 360.08451746 g/mol
Monoisotopic Mass 360.08451746 g/mol
Heavy Atom Count 26
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 519
xlogp 2.4
Topological Polar Surface Area 145