Structure Database (LMSD)

Common Name
Oleandolide
Systematic Name
Synonyms
LM ID
LMPK04000031
Status
Active
Exact Mass
Calculate m/z
386.230455
Formula


Download as...
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)
PFDLUBNRHMFBGI-HRVFELILSA-N
InChi (Click to copy)
InChI=1S/C20H34O7/c1-9-7-20(8-26-20)18(24)12(4)16(22)10(2)14(6)27-19(25)13(5)17(23)11(3)15(9)21/h9-17,21-23H,7-8H2,1-6H3/t9-,10-,11+,12+,13+,14+,15-,16-,17-,20+/m0/s1
SMILES (Click to copy)
[C@@]12(CO1)C[C@H](C)[C@H](O)[C@@H](C)[C@@H]([C@@H](C)C(O[C@H](C)[C@H](C)[C@H](O)[C@@H](C)C2=O)=O)O

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 2
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 386.09
Topological Polar Surface Area 118.66
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 2.64
Molar Refractivity 100.75

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Created at
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Updated at
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