Structure Database (LMSD)
Common Name
Chrysin 6-C-glucoside-8-C-alpha-L-arabinopyranoside
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Chrysin 6-C-glucoside-8-C-alpha-L-arabinopyranoside
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
ZGVGUTOTMNVHSX-VYUBKLCTSA-N
InChi (Click to copy)
InChI=1S/C26H28O13/c27-7-13-18(31)21(34)23(36)26(39-13)15-19(32)14-10(28)6-12(9-4-2-1-3-5-9)38-24(14)16(20(15)33)25-22(35)17(30)11(29)8-37-25/h1-6,11,13,17-18,21-23,25-27,29-36H,7-8H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1
SMILES (Click to copy)
C1(O)=C([C@H]2[C@H](O)[C@@H](O)[C@@H](O)CO2)C2OC(C3C=CC=CC=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
39
Rings
5
Aromatic Rings
3
Rotatable Bonds
4
Van der Waals Molecular Volume
457.01
Topological Polar Surface Area
234.88
Hydrogen Bond Donors
9
Hydrogen Bond Acceptors
13
logP
2.01
Molar Refractivity
135.36
Admin
Created at
-
Updated at
4th Jan 2022