Structure Database (LMSD)

Common Name
Hesperetin 5-O-glucoside
Systematic Name
5,7,3'-Trihydroxy-4'-methoxyflavanone 5-O-glucoside
Synonyms
LM ID
LMPK12140377
Formula
C22H24O11
Exact Mass
Calculate m/z
464.131865
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Prunus persica (#3760)
Magnoliopsida (#3398)
Polyphenolic compounds of Persica vulgaris,
Chem Nat Prod, 1979
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
QSLBWGKNSBMTJL-WVJHHYEUSA-N
InChi (Click to copy)
InChI=1S/C22H24O11/c1-30-13-3-2-9(4-11(13)25)14-7-12(26)18-15(31-14)5-10(24)6-16(18)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,14,17,19-25,27-29H,7-8H2,1H3/t14?,17-,19-,20+,21-,22-/m1/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(OC)=CC=3)CC(=O)C=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1

Other Databases

HMDB ID
HMDB0037535
CHEBI ID
166612
METABOLOMICS ID
FL2FAEGS0003
PubChem CID
18625123

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 396.13
Topological Polar Surface Area 179.51
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 11
logP 1.71
Molar Refractivity 112.53

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Created at
-
Updated at
5th Jun 2024