Structure Database (LMSD)
Common Name
Gibberellin A8-catabolite
Systematic Name
Synonyms
3D model of Gibberellin A8-catabolite
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
NAOFYNMJUGRAFS-UWSJOQIXSA-N
InChi (Click to copy)
InChI=1S/C19H22O7/c1-8-6-18-7-19(8,26)4-3-10(18)9-5-11(20)14(21)17(2,16(24)25)12(9)13(18)15(22)23/h5,10,12-14,21,26H,1,3-4,6-7H2,2H3,(H,22,23)(H,24,25)/t10-,12+,13+,14-,17-,18-,19-/m0/s1
SMILES (Click to copy)
[C@@]123[C@@]([H])(CC[C@@](O)(C(=C)C1)C2)C1[C@@]([H])([C@](C)(C(=O)O)[C@@H](O)C(=O)C=1)[C@@H]3C(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
4
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
336.15
Topological Polar Surface Area
132.13
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
7
logP
1.33
Molar Refractivity
88.96
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Created at
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Updated at
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