Structure Database (LMSD)

Common Name
Ginkgolide M
Systematic Name
Synonyms
LM ID
LMPR01040144
Status
Active
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]

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
C16816
CHEBI ID
80750
PubChem CID
126843440

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