LIPID MAPS

Structure Database (LMSD)

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Common Name

Taxifolin 3'-glucoside

Systematic Name

(2R,3R)-3,3',4',5,7-Pentahydroxyflavan-4-one 3'-glucoside

Synonyms

LM ID

LMPK12140724

Formula

C₂₁H₂₂O₁₂

Exact Mass

Calculate m/z

466.11113

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

Pseudotsuga menziesii (#3357)

Pinopsida (#58019)

Biogenesis of Heartwood and Bark Constituents. I. A. New Taxifolin Glucoside,
J Org Chem, 1958

DOI: 10.1021/jo01099a015

String Representations

InChiKey (Click to copy)

CZOXIGOPZRIBJM-JUIPTLLLSA-N

InChi (Click to copy)

InChI=1S/C21H22O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-3-7(1-2-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17-26,28-30H,6H2/t13-,15-,17+,18+,19-,20-,21-/m1/s1

SMILES (Click to copy)

C1(O)=CC2O[C@H](C3C=CC(O)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C=3)[C@@H](O)C(=O)C=2C(O)=C1

Other Databases

PubChem CID

14282774

Calculated Physicochemical Properties

Heavy Atoms 33

Rings 4

Aromatic Rings 2

Rotatable Bonds 4

Van der Waals Molecular Volume 387.62

Topological Polar Surface Area 210.74

Hydrogen Bond Donors 8

Hydrogen Bond Acceptors 12

logP 0.66

Molar Refractivity 109.54

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Created at

9th Oct 2026

Updated at