Structure Database (LMSD)
Common Name
Kaempferol 3-(2''-p-coumaryl-rhamnoside)-7-rhamnoside
Systematic Name
Synonyms
3D model of Kaempferol 3-(2''-p-coumaryl-rhamnoside)-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)
FEEQRZQQJIFQAL-UDLSHQKTSA-N
InChi (Click to copy)
InChI=1S/C36H36O16/c1-15-26(41)29(44)31(46)35(47-15)49-21-13-22(39)25-23(14-21)50-32(18-6-10-20(38)11-7-18)33(28(25)43)52-36-34(30(45)27(42)16(2)48-36)51-24(40)12-5-17-3-8-19(37)9-4-17/h3-16,26-27,29-31,34-39,41-42,44-46H,1-2H3/b12-5+/t15-,16-,26-,27-,29+,30+,31+,34+,35-,36-/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](OC(/C=C/C4C=CC(O)=CC=4)=O)[C@H](O)[C@@H](O)[C@H](C)O3)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
52
Rings
6
Aromatic Rings
4
Rotatable Bonds
9
Van der Waals Molecular Volume
619.92
Topological Polar Surface Area
259.41
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
16
logP
5.02
Molar Refractivity
183.46
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Created at
-
Updated at
7th Jan 2022