gastrodin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 160
Total Number of Articles : 100
PubChem 115067
Molecular Formula

C13H18O7

SMILES

C1=CC(=CC=C1CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

InChI

InChI=1S/C13H18O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1

synonyms
  • Gastrodin
  • 62499-27-8
  • Gastrodine
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Properties
Property Value
MW 286.28 g/mol
HBD 5
HBA 7
Rotatable Bond Count 4
Exact Mass 286.10525291 g/mol
Monoisotopic Mass 286.10525291 g/mol
Heavy Atom Count 20
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 292
xlogp -0.8
Topological Polar Surface Area 120