Structure Database (LMSD)
Common Name
gibberellin A3 O-beta-D-glucoside
Systematic Name
2β-(β-D-glucopyranosyloxy)-2β-hydroxy-1β-methyl-8-methylidene-13-oxo-4a,1α-epoxymethano-4aα,4bβ-gibb-3-ene-10β-carboxylic acid
Synonyms
3D model of gibberellin A3 O-beta-D-glucoside
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
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)
[C@]12(C(O[C@@]3(C=C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]2([H])[C@H](C(O)=O)[C@@]12CC(=C)[C@@](O)(C1)CC[C@@]32[H])=O)C
Other Databases
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
Admin
Created at
-
Updated at
21st May 2025