Structure Database (LMSD)

Common Name
Rhaponticin
Systematic Name
Synonyms
  • Rhapontin
LM ID
LMPK13090002
Status
Active
Exact Mass
Calculate m/z
420.142035
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)
GKAJCVFOJGXVIA-DXKBKAGUSA-N
InChi (Click to copy)
InChI=1S/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1
SMILES (Click to copy)
C1=C(O)C=C(/C=C/C2=CC(O)=C(OC)C=C2)C=C1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

References

Other Databases

Wikipedia
KEGG ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 373.61
Topological Polar Surface Area 151.14
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 9
logP 2.17
Molar Refractivity 109.14

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Created at
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Updated at
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