Structure Database (LMSD)
Common Name
Hispidulin 7-rhamnoside
Systematic Name
Synonyms
3D model of Hispidulin 7-rhamnoside
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
HCWDWJFVGNXGNS-HUECEVEHSA-N
InChi (Click to copy)
InChI=1S/C22H22O10/c1-9-17(25)19(27)20(28)22(30-9)32-15-8-14-16(18(26)21(15)29-2)12(24)7-13(31-14)10-3-5-11(23)6-4-10/h3-9,17,19-20,22-23,25-28H,1-2H3/t9-,17-,19+,20+,22-/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)C=C2OC(C3C=CC(O)=CC=3)=CC(=O)C2=C(O)C=1OC
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
4
Aromatic Rings
3
Rotatable Bonds
4
Van der Waals Molecular Volume
373.80
Topological Polar Surface Area
161.12
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
10
logP
3.42
Molar Refractivity
113.45
Admin
Created at
-
Updated at
25th Nov 2021