Structure Database (LMSD)
Common Name
Physcion 8-glucoside
Systematic Name
Synonyms
3D model of Physcion 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)
POMKXWCJRHNLRP-DQMLXFRHSA-N
InChi (Click to copy)
InChI=1S/C22H22O10/c1-8-3-10-15(12(24)4-8)19(27)16-11(17(10)25)5-9(30-2)6-13(16)31-22-21(29)20(28)18(26)14(7-23)32-22/h3-6,14,18,20-24,26,28-29H,7H2,1-2H3/t14-,18-,20+,21-,22-/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)OC
References
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
4
Aromatic Rings
2
Rotatable Bonds
4
Van der Waals Molecular Volume
384.70
Topological Polar Surface Area
165.05
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
10
logP
1.38
Molar Refractivity
110.15
Admin
Created at
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Updated at
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