Structure Database (LMSD)
Common Name
Aucubin
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Aucubin
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)
RJWJHRPNHPHBRN-FKVJWERZSA-N
InChi (Click to copy)
InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1
SMILES (Click to copy)
O([C@@H]1OC=C[C@@]2([H])[C@@H](C=C([C@@]12[H])CO)O)[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O
References
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
3
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
304.81
Topological Polar Surface Area
153.21
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
9
logP
-0.23
Molar Refractivity
81.58
Admin
Created at
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Updated at
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