baicalin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 690
Total Number of Articles : 525
PubChem 64982
Molecular Formula

C21H18O11

SMILES

C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O

InChI

InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1

synonyms
  • Baicalin
  • 21967-41-9
  • Baicalein 7-O-glucuronide
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Properties
Property Value
MW 446.4 g/mol
HBD 6
HBA 11
Rotatable Bond Count 4
Exact Mass 446.08491139 g/mol
Monoisotopic Mass 446.08491139 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 748
xlogp 1.1
Topological Polar Surface Area 183