breviscapine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 82
Total Number of Articles : 48
PubChem 185617
Molecular Formula

C21H18O12

SMILES

C1=CC(=CC=C1C2=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)O

InChI

InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1

synonyms
  • Scutellarin
  • Scutellarin B
  • Scutellarein-7-glucuronide
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Properties
Property Value
MW 462.4 g/mol
HBD 7
HBA 12
Rotatable Bond Count 4
Exact Mass 462.07982601 g/mol
Monoisotopic Mass 462.07982601 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 777
xlogp 0.8
Topological Polar Surface Area 203