Structure Database (LMSD)

Common Name
Pueraria glycoside 1
Systematic Name
Synonyms
LM ID
LMPK12050041
Formula
Exact Mass
Calculate m/z
432.10565
Status
Active

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
GARZMRVWLORUSR-VPRICQMDSA-N
InChi (Click to copy)
InChI=1S/C21H20O10/c22-6-14-17(27)18(28)19(29)21(31-14)15-12(24)4-2-9-16(26)10(7-30-20(9)15)8-1-3-11(23)13(25)5-8/h1-5,7,14,17-19,21-25,27-29H,6H2/t14-,17-,18+,19-,21+/m1/s1
SMILES (Click to copy)
C1(O)=C([C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C2OC=C(C3C=CC(O)=C(O)C=3)C(=O)C=2C=C1

Other Databases

METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 356.50
Topological Polar Surface Area 183.12
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 10
logP 2.42
Molar Refractivity 108.28

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Created at
-
Updated at
19th Oct 2021