bergenin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 73
Total Number of Articles : 25
PubChem 66065
Molecular Formula

C14H16O9

SMILES

COC1=C(C=C2C(=C1O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC2=O)O

InChI

InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1

synonyms
  • bergenin
  • 477-90-7
  • Bergenin [JAN]
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Properties
Property Value
MW 328.27 g/mol
HBD 5
HBA 9
Rotatable Bond Count 2
Exact Mass 328.07943208 g/mol
Monoisotopic Mass 328.07943208 g/mol
Heavy Atom Count 23
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 458
xlogp -1
Topological Polar Surface Area 146