Structure Database (LMSD)

H O O O HO OH OH HO HO OH H O O
Common Name
gibberellin A3 O-beta-D-glucoside
Systematic Name
Synonyms
LM ID
LMPR0104170033
Formula
C25H32O11
Exact Mass
Calculate m/z
508.194465
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
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
C04070
CHEBI ID
52076
PubChem CID
44260117

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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