Structure Database (LMSD)
Common Name
Kaempferol 3-rhamnoside-7-xylosyl-(1->2)-rhamnoside
Systematic Name
Synonyms
3D model of Kaempferol 3-rhamnoside-7-xylosyl-(1->2)-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)
HFVRSZGPXFXZLJ-DETDWBCYSA-N
InChi (Click to copy)
InChI=1S/C32H38O18/c1-10-19(36)23(40)26(43)31(45-10)49-28-22(39)18-15(34)7-14(8-17(18)48-27(28)12-3-5-13(33)6-4-12)47-32-29(24(41)20(37)11(2)46-32)50-30-25(42)21(38)16(35)9-44-30/h3-8,10-11,16,19-21,23-26,29-38,40-43H,9H2,1-2H3/t10-,11-,16+,19-,20-,21-,23+,24+,25+,26+,29+,30-,31-,32-/m0/s1
SMILES (Click to copy)
C1C=C(O)C=CC=1C1=C(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)C(=O)C2C(O)=CC(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@H](O)[C@@H](O)[C@H](C)O3)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
50
Rings
6
Aromatic Rings
3
Rotatable Bonds
7
Van der Waals Molecular Volume
592.40
Topological Polar Surface Area
294.10
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
18
logP
2.94
Molar Refractivity
171.61
Admin
Created at
-
Updated at
7th Jan 2022