Structure Database (LMSD)
Common Name
Kaempferide 3-alpha-L-arabinopyranoside
Systematic Name
Synonyms
3D model of Kaempferide 3-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)
CFLKADWQQCOPAV-IMYKZHQLSA-N
InChi (Click to copy)
InChI=1S/C21H20O10/c1-28-11-4-2-9(3-5-11)19-20(31-21-18(27)16(25)13(24)8-29-21)17(26)15-12(23)6-10(22)7-14(15)30-19/h2-7,13,16,18,21-25,27H,8H2,1H3/t13-,16-,18+,21-/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC(OC)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)CO3)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
4
Aromatic Rings
3
Rotatable Bonds
4
Van der Waals Molecular Volume
356.50
Topological Polar Surface Area
161.12
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
10
logP
3.03
Molar Refractivity
108.84
Admin
Created at
-
Updated at
4th Jan 2022