Structure Database (LMSD)

Common Name
Ginkgolide M
Systematic Name
Synonyms
LM ID
LMPR01040144
Status
Active


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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
KDKROYXEHCYLJQ-DYXVGVPESA-N
InChi (Click to copy)
InChI=1S/C20H24O10/c1-5-6-8(27-13(5)24)10(22)19-12-7(21)9(17(2,3)4)18(19)11(23)14(25)29-16(18)30-20(6,19)15(26)28-12/h5-12,16,21-23H,1-4H3/t5-,6-,7+,8+,9-,10-,11-,12+,16-,18?,19?,20+/m0/s1
SMILES (Click to copy)

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ginkgo biloba (#3311)
Ginkgoopsida (#29811)
Structure and absolute configuration of ginkgolide B characterized by IR- and VCD spectroscopy.,
Chirality, 2010
Pubmed ID: 19455619

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 6
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 360.38
Topological Polar Surface Area 157.10
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 10
logP 0.49
Molar Refractivity 95.53

Admin

Created at
11th May 2021
Updated at
11th May 2021