Structure Database (LMSD)

O OH OH OH HO O
Common Name
(-)-menthyl beta-D-glucoside
Systematic Name
(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl β-D-glucopyranoside
Synonyms
  • (-)-Menthyl O-beta-D-glucoside
  • (-)-menthyl O-beta-D-glucoside
  • (-)-menthyl O-beta-glucopyranoside
LM ID
LMPR0102090060
Formula
C16H30O6
Exact Mass
Calculate m/z
318.20424
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Menthane monoterpenoids [PR010209]

String Representations

InChiKey (Click to copy)
GZSDZJZIZBGBON-NZZARTGWSA-N
InChi (Click to copy)
InChI=1S/C16H30O6/c1-8(2)10-5-4-9(3)6-11(10)21-16-15(20)14(19)13(18)12(7-17)22-16/h8-20H,4-7H2,1-3H3/t9-,10+,11-,12-,13-,14+,15-,16-/m1/s1
SMILES (Click to copy)
[C@H]1(C[C@@H](CC[C@H]1C(C)C)C)O[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O

References

Other Databases

KEGG ID
C03962
HMDB ID
HMDB0032368
CHEBI ID
15411
PubChem CID
5459767

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 2
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 313.38
Topological Polar Surface Area 101.45
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 2.27
Molar Refractivity 83.55

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Created at
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Updated at
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