Structure Database (LMSD)

Common Name
gibberellin A3 O-beta-D-glucoside
Systematic Name
Synonyms
LM ID
LMPR0104170033
Status
Active
Exact Mass
Calculate m/z
508.194465
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)
WUTOEZVIPGBMEA-HRHVLVCKSA-N
InChi (Click to copy)
InChI=1S/C25H32O11/c1-10-7-23-9-24(10,33)5-3-12(23)25-6-4-13(22(2,21(32)36-25)18(25)14(23)19(30)31)35-20-17(29)16(28)15(27)11(8-26)34-20/h4,6,11-18,20,26-29,33H,1,3,5,7-9H2,2H3,(H,30,31)/t11-,12-,13+,14-,15-,16+,17-,18-,20+,22-,23+,24+,25-/m1/s1
SMILES (Click to copy)

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 6
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 453.03
Topological Polar Surface Area 187.35
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 11
logP 1.43
Molar Refractivity 122.39

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Created at
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Updated at
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