GINKGOLIDE A

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TAZ2DPR77B
EPA CompTox DTXSID10873222

Structure

InChI Key FPUXKXIZEIDQKW-VKMVSBOZSA-N
Smiles [H][C@]12C[C@@]34[C@@]5([H])C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@@]3([H])O[C@@]4(C(=O)O5)[C@@]1(O)[C@H](C)C(=O)O2
InChI
InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3/t7-,8+,9-,10+,11+,15+,17-,18+,19-,20-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24O9
Molecular Weight 408.14
AlogP -0.34
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Polar Surface Area 128.59
Heavy Atoms 29.0

Cross References

Resources Reference
CAS NUMBER 15291-75-5
NORMAN SUSDAT
FDA SRS TAZ2DPR77B
PubChem 9909368
ChemSpider 103096.0
CONTENTS