Structure Database (LMSD)

Common Name
Pongamoside A
Systematic Name
Synonyms
LM ID
LMPK12110010
Status
Active
Exact Mass
Calculate m/z
440.110735
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)
DJCDSGSDGQRCIB-ZFVIQDPVSA-N
InChi (Click to copy)
InChI=1S/C23H20O9/c24-10-18-19(26)20(27)21(28)23(32-18)30-12-3-1-2-11(8-12)17-9-15(25)13-4-5-16-14(6-7-29-16)22(13)31-17/h1-9,18-21,23-24,26-28H,10H2/t18-,19-,20+,21-,23-/m1/s1
SMILES (Click to copy)
C1C=C2OC=CC2=C2OC(C3C=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C=CC=3)=CC(=O)C=12

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pongamia pinnata (#56065)
Magnoliopsida (#3398)
Furanoflavonoid glycosides from Pongamia pinnata fruits.,
Phytochemistry, 2004
Pubmed ID: 15081295
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 5
Aromatic Rings 4
Rotatable Bonds 4
Van der Waals Molecular Volume 356.41
Topological Polar Surface Area 144.80
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 9
logP 4.00
Molar Refractivity 115.25

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Created at
-
Updated at
19th Oct 2021