Structure Database (LMSD)
Common Name
Kaempferol 3-(2''-(E)-p-coumaroyl-alpha-L-arabinofuranoside)-7-rhamnoside
Systematic Name
Synonyms
3D model of Kaempferol 3-(2''-(E)-p-coumaroyl-alpha-L-arabinofuranoside)-7-rhamnoside
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)
WQDPFLCPSSBWSG-LMJNOBEDSA-N
InChi (Click to copy)
InChI=1S/C35H34O16/c1-15-26(41)29(44)30(45)34(46-15)47-20-12-21(39)25-22(13-20)48-31(17-5-9-19(38)10-6-17)32(28(25)43)51-35-33(27(42)23(14-36)49-35)50-24(40)11-4-16-2-7-18(37)8-3-16/h2-13,15,23,26-27,29-30,33-39,41-42,44-45H,14H2,1H3/b11-4+/t15-,23-,26-,27-,29+,30+,33+,34-,35-/m0/s1
SMILES (Click to copy)
C1C=C(O)C=CC=1C1=C(O[C@H]2[C@H](OC(/C=C/C3C=CC(O)=CC=3)=O)[C@@H](O)[C@H](CO)O2)C(=O)C2C(O)=CC(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
51
Rings
6
Aromatic Rings
4
Rotatable Bonds
10
Van der Waals Molecular Volume
602.62
Topological Polar Surface Area
259.41
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
16
logP
4.63
Molar Refractivity
178.84
Admin
Created at
-
Updated at
7th Jan 2022