Structure Database (LMSD)

Common Name
Quercetin 3-galactosyl-(1->2)-rhamnoside
Systematic Name
3 [(6-Deoxy-2-O-β-D-galactopyranosyl-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
Synonyms
  • 3,3',4',5,7-Pentahydroxyflavone 3-galactosyl-(1->2)-rhamnoside
LM ID
LMPK12112234
Formula
C27H30O16
Exact Mass
Calculate m/z
610.153391
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/
Embelia schimperi (#2595069)
Magnoliopsida (#3398)
A flavonol glycoside from Embelia schimperi leaves,
Phytochemistry, 1997

String Representations

InChiKey (Click to copy)
DFNXNCCYQRPZMD-DFMZCOSXSA-N
InChi (Click to copy)
InChI=1S/C27H30O16/c1-8-17(33)21(37)25(43-26-22(38)20(36)18(34)15(7-28)41-26)27(39-8)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3/t8-,15+,17-,18-,20-,21+,22+,25+,26-,27-/m0/s1
SMILES (Click to copy)
C1C=C(O)C(O)=CC=1C1=C(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O3)[C@H](O)[C@@H](O)[C@H](C)O2)C(=O)C2C(O)=CC(O)=CC=2O1

Other Databases

METABOLOMICS ID
FL5FACGS0069
PubChem CID
5320849

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 5
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 500.68
Topological Polar Surface Area 273.57
Hydrogen Bond Donors 10
Hydrogen Bond Acceptors 16
logP 2.36
Molar Refractivity 145.91

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Created at
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Updated at
22nd Jun 2026