Structure Database (LMSD)
Common Name
Calycosin 7-O-glucoside
Systematic Name
Synonyms
3D model of Calycosin 7-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)
WACBUPFEGWUGPB-MIUGBVLSSA-N
InChi (Click to copy)
InChI=1S/C22H22O10/c1-29-15-5-2-10(6-14(15)24)13-9-30-16-7-11(3-4-12(16)18(13)25)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
SMILES (Click to copy)
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C1C=CC2C(=O)C(C3C=C(O)C(OC)=CC=3)=COC=2C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
4
Aromatic Rings
3
Rotatable Bonds
5
Van der Waals Molecular Volume
373.80
Topological Polar Surface Area
161.12
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
10
logP
2.97
Molar Refractivity
113.69
Admin
Created at
-
Updated at
25th Sep 2021