Structure Database (LMSD)

Common Name
Lethedoside C
Systematic Name
Synonyms
  • Tricetin 7,3',4'-trimethyl eter 5-glucoside
LM ID
LMPK12111065
Formula
C24H26O12
Exact Mass
Calculate m/z
506.14243
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
WGZGLIQYUYIVRX-BKSKZGTRSA-N
InChi (Click to copy)
InChI=1S/C24H26O12/c1-31-11-6-15-19(16(7-11)35-24-22(30)21(29)20(28)18(9-25)36-24)12(26)8-14(34-15)10-4-13(27)23(33-3)17(5-10)32-2/h4-8,18,20-22,24-25,27-30H,9H2,1-3H3/t18-,20-,21+,22-,24-/m1/s1
SMILES (Click to copy)
C1C(O)=C(OC)C(OC)=CC=1C1=CC(=O)C2C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC(OC)=CC=2O1

Other Databases

METABOLOMICS ID
FL3FCKGS0001
PubChem CID
10391471

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 4
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 425.98
Topological Polar Surface Area 179.58
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 12
logP 2.99
Molar Refractivity 126.79

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Created at
-
Updated at
24th Sep 2021