gentiopicroside

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 81
Total Number of Articles : 36
PubChem 88708
Molecular Formula

C16H20O9

SMILES

C=C[C@H]1[C@@H](OC=C2C1=CCOC2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

InChI

InChI=1S/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2/t7-,10-,11-,12+,13-,15+,16+/m1/s1

synonyms
  • Gentiopicrin
  • UNII-0WE09Z21RC
  • DTXSID40878043
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Properties
Property Value
MW 356.32 g/mol
HBD 4
HBA 9
Rotatable Bond Count 4
Exact Mass 356.11073221 g/mol
Monoisotopic Mass 356.11073221 g/mol
Heavy Atom Count 25
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 598
xlogp -1.2
Topological Polar Surface Area 135