Structure Database (LMSD)
Common Name
Emodin 8-glucoside
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Emodin 8-glucoside
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
String Representations
InChiKey (Click to copy)
HSWIRQIYASIOBE-JNHRPPPUSA-N
InChi (Click to copy)
InChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1
SMILES (Click to copy)
C12C(=O)C3=C(C=C(C=C3O)C)C(=O)C=1C=C(C=C2O[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O)O
References
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
4
Aromatic Rings
2
Rotatable Bonds
3
Van der Waals Molecular Volume
367.40
Topological Polar Surface Area
176.05
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
10
logP
1.08
Molar Refractivity
105.26
Admin
Created at
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Updated at
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