gambogic acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 262
Total Number of Articles : 198
PubChem 99639195
Molecular Formula

C38H44O8

SMILES

CC(=CCC[C@@]1(C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)O[C@]45[C@H]6C[C@@H](C=C4C3=O)C(=O)[C@@]5(OC6(C)C)C/C=C(/C)\C(=O)O)O)C)C

InChI

InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-/t23-,27+,36-,37+,38+/m1/s1

synonyms
  • gambogic acid
  • 2752-65-0
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Properties
Property Value
MW 628.7 g/mol
HBD 2
HBA 8
Rotatable Bond Count 8
Exact Mass 628.30361836 g/mol
Monoisotopic Mass 628.30361836 g/mol
Heavy Atom Count 46
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 1490
xlogp 7.3
Topological Polar Surface Area 119