Structure database (LMSD)

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LM IDLMST05050030
Common NameCholesteryl-6-O-myristoyl-α-D-glucoside
Systematic NameCholesteryl-6-O-tetradecanoyl-α-D-glucopyranoside
Synonyms-
Exact Mass
758.6061 (neutral)    Calculate m/z:
FormulaC47H82O7
CategorySterol Lipids [ST]
Main ClassSteroid conjugates [ST05]
Sub ClassOther Steroid conjugates [ST0505]
PubChem CID126457746
InChIKeyWGLLNBXQHLWMOQ-ZZTANNDASA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C47H82O7/c1-7-8-9-10-11-12-13-14-15-16-17-21-41(48)52-31-40-42(49)43(50)44(51)45(54-40)53-35-26-28-46(5)34(30-35)22-23-36-38-25-24-37(33(4)20-18-19-32(2)3)47(38,6)29-27-39(36)46/h22,32-33,35-40,42-45,49-51H,7-21,23-31H2,1-6H3/t33-,35+,36+,37-,38+,39+,40?,42-,43+,44?,45+,46+,47-/m1/s1
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SMILES
O(CC1O[C@H](O[C@H]2CC[C@]3(C)[C@@]4([H])CC[C@]5(C)[C@@H]([C@@H](CCCC(C)C)C)CC[C@@]5([H])[C@]4([H])CC=C3C2)C(O)[C@@H](O)[C@@H]1O)C(CCCCCCCCCCCCC)=O
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StatusActive
ReferencesJ Bacteriol. 1995 Sep;177(18):5327-33.
Unique cholesteryl glucosides in Helicobacter pylori: composition and structural analysis.
Hirai Y1, Haque M, Yoshida T, Yokota K, Yasuda T, Oguma K.
Calculated physicochemical properties (?):
 Heavy Atoms54Rings5Aromatic Rings0Rotatable Bonds22
 van der Waals
Molecular Volume
816.11Topological Polar
Surface Area
107.52Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
7
 logP12.47Molar
Refractivity
220.20