Structure Database (LMSD)
Common Name
22:1-Glc-cholesterol
Systematic Name
3-O-(6'-O-(13Z-docosenoyl)-β-D-glucopyranosyl)-cholest-5-en-3β-ol
Synonyms
3D model of 22:1-Glc-cholesterol
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
String Representations
InChiKey (Click to copy)
OWEPGXIQRKLGHT-WNANAYTPSA-N
InChi (Click to copy)
InChI=1S/C55H96O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-49(56)60-39-48-50(57)51(58)52(59)53(62-48)61-43-34-36-54(5)42(38-43)30-31-44-46-33-32-45(41(4)28-26-27-40(2)3)55(46,6)37-35-47(44)54/h14-15,30,40-41,43-48,50-53,57-59H,7-13,16-29,31-39H2,1-6H3/b15-14-/t41-,43+,44+,45-,46+,47+,48-,50-,51+,52-,53-,54+,55-/m1/s1
SMILES (Click to copy)
C(OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@@H]2CC3=CC[C@@]4([H])[C@]5([H])CC[C@]([H])([C@@]([H])(CCCC(C)C)C)[C@@]5(C)CC[C@]4([H])[C@@]3(C)CC2)O1)(CCCCCCCCCCC/C=C\CCCCCCCC)=O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
62
Rings
5
Aromatic Rings
0
Rotatable Bonds
29
Van der Waals Molecular Volume
951.87
Topological Polar Surface Area
107.52
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
7
logP
15.36
Molar Refractivity
257.04
Admin
Created at
-
Updated at
31st Aug 2021