picroside II

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 94
Total Number of Articles : 40
PubChem 11944602
Molecular Formula

C23H28O13

SMILES

COC1=C(C=CC(=C1)C(=O)O[C@H]2[C@@H]3C=CO[C@H]([C@@H]3[C@@]4([C@H]2O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O

InChI

InChI=1S/C23H28O13/c1-31-12-6-9(2-3-11(12)26)20(30)34-18-10-4-5-32-21(14(10)23(8-25)19(18)36-23)35-22-17(29)16(28)15(27)13(7-24)33-22/h2-6,10,13-19,21-22,24-29H,7-8H2,1H3/t10-,13-,14-,15-,16+,17-,18+,19+,21+,22+,23-/m1/s1

synonyms
  • Picroside II
  • Vanilloyl catalpol
  • 6-Vanilloylcatalpol
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Properties
Property Value
MW 512.5 g/mol
HBD 6
HBA 13
Rotatable Bond Count 8
Exact Mass 512.15299094 g/mol
Monoisotopic Mass 512.15299094 g/mol
Heavy Atom Count 36
Isotope Atom Count 0
Atom Stereo Count 11
Covalent Unit Count 1
Complexity 839
xlogp -1.4
Topological Polar Surface Area 197