Structure Database (LMSD)
Common Name
Vitexin 6''-O-glucoside
Systematic Name
Synonyms
3D model of Vitexin 6''-O-glucoside
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)
QHYZEVPULSDUSA-WIQAIWCDSA-N
InChi (Click to copy)
InChI=1S/C27H30O15/c28-7-15-19(33)22(36)24(38)27(42-15)39-8-16-20(34)21(35)23(37)26(41-16)18-12(31)5-11(30)17-13(32)6-14(40-25(17)18)9-1-3-10(29)4-2-9/h1-6,15-16,19-24,26-31,33-38H,7-8H2/t15-,16-,19-,20-,21+,22+,23-,24-,26+,27-/m1/s1
SMILES (Click to copy)
C1(O)=C([C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)O2)C2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
5
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
491.89
Topological Polar Surface Area
264.34
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
15
logP
1.96
Molar Refractivity
143.96
Admin
Created at
-
Updated at
15th Oct 2021