Structure Database (LMSD)
Common Name
Kaempferol 3-rhamnosyl-(1->2)-glucosyl-(1->6)-galactoside
Systematic Name
Synonyms
3D model of Kaempferol 3-rhamnosyl-(1->2)-glucosyl-(1->6)-galactoside
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)
YFGCAELKAPEXJG-KUBKRSRPSA-N
InChi (Click to copy)
InChI=1S/C33H40O20/c1-10-19(38)23(42)26(45)31(48-10)53-30-25(44)20(39)16(8-34)50-33(30)47-9-17-21(40)24(43)27(46)32(51-17)52-29-22(41)18-14(37)6-13(36)7-15(18)49-28(29)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,30-40,42-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21-,23+,24-,25-,26+,27+,30+,31-,32-,33+/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](CO[C@H]3[C@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)O2)C(=O)C2C(O)=CC(O)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
53
Rings
6
Aromatic Rings
3
Rotatable Bonds
9
Van der Waals Molecular Volume
627.28
Topological Polar Surface Area
334.56
Hydrogen Bond Donors
12
Hydrogen Bond Acceptors
20
logP
2.20
Molar Refractivity
179.93
Admin
Created at
-
Updated at
7th Jan 2022