Structure Database (LMSD)

Common Name
gibberellin A2 O-beta-D-glucoside
Systematic Name
Synonyms
LM ID
LMPR0104170037
Status
Active
Exact Mass
Calculate m/z
512.225765
Formula
C25H36O11
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Gibberellins [PR010417]

String Representations

InChiKey (Click to copy)
WTKQZMGIUAMURO-VKFLIQGRSA-N
InChi (Click to copy)
InChI=1S/C25H36O11/c1-22(33)9-24-7-10(22)3-4-12(24)25-6-5-13(23(2,21(32)36-25)18(25)14(24)19(30)31)35-20-17(29)16(28)15(27)11(8-26)34-20/h10-18,20,26-29,33H,3-9H2,1-2H3,(H,30,31)/t10-,11-,12-,13+,14-,15-,16+,17-,18-,20+,22-,23-,24-,25-/m1/s1
SMILES (Click to copy)

References

Other Databases

CHEBI ID
28153
PubChem CID
16019961

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 6
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 458.31
Topological Polar Surface Area 187.35
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 11
logP 1.73
Molar Refractivity 122.51

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Created at
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Updated at
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