Structure Database (LMSD)
Common Name
8-C-Glucopyranosylepicatechin
Systematic Name
(2R,3R)-3,5,7,3',4'-Pentahydroxyflavan 8-C-glucopyranoside
Synonyms
3D model of 8-C-Glucopyranosylepicatechin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Cinnamomum aromaticum
(#119260)
Magnoliopsida
(#3398)
Tannins and Related Compounds. XXXVIII. : Isolation and Characterization of Flavan-3-ol Glucosides and Procyanidin Oligomers from Cassia Bark : Cinnamomum cassia BLUME,
Chem Pharm Bull, 1986
Chem Pharm Bull, 1986
DOI:
10.1248/cpb.34.633
String Representations
InChiKey (Click to copy)
XWDHVYPMZCGHNM-SBNMIOBJSA-N
InChi (Click to copy)
InChI=1S/C21H24O11/c22-6-14-16(28)17(29)18(30)21(31-14)15-12(26)5-10(24)8-4-13(27)19(32-20(8)15)7-1-2-9(23)11(25)3-7/h1-3,5,13-14,16-19,21-30H,4,6H2/t13-,14-,16-,17+,18-,19-,21+/m1/s1
SMILES (Click to copy)
C1(O)=C([C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C2O[C@H](C3C=C(O)C(O)=CC=3)[C@H](O)CC=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
4
Aromatic Rings
2
Rotatable Bonds
3
Van der Waals Molecular Volume
381.47
Topological Polar Surface Area
204.67
Hydrogen Bond Donors
9
Hydrogen Bond Acceptors
11
logP
0.78
Molar Refractivity
108.39
Admin
Created at
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Updated at
16th May 2025