Structure Database (LMSD)

OH O O O O HO OH HO OH O O
Common Name
Persicogenin 3'-glucoside
Systematic Name
5,3'-Dihydroxy-7,4'-dimethoxyflavanone 3'-glucoside
Synonyms
LM ID
LMPK12140587
Formula
C23H26O11
Exact Mass
Calculate m/z
478.147515
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
VHGJMSVFUPCQGC-HJEVIKEQSA-N
InChi (Click to copy)
InChI=1S/C23H26O11/c1-30-11-6-12(25)19-13(26)8-15(32-17(19)7-11)10-3-4-14(31-2)16(5-10)33-23-22(29)21(28)20(27)18(9-24)34-23/h3-7,15,18,20-25,27-29H,8-9H2,1-2H3/t15?,18-,20-,21+,22-,23-/m1/s1
SMILES (Click to copy)
C1(OC)C=C(O)C2C(=O)CC(C3C=CC(OC)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C=3)OC=2C=1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FCEGS0002
PubChem CID
42608083

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 413.43
Topological Polar Surface Area 168.51
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 11
logP 2.01
Molar Refractivity 117.41

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Created at
-
Updated at
25th Sep 2021