Structure Database (LMSD)
Common Name
Kaempferol 3-xylosyl-(1->6)-glucosyl-(1->2)-rhamnoside
Systematic Name
Synonyms
- Helieianeoside A
3D model of Kaempferol 3-xylosyl-(1->6)-glucosyl-(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)
IJTSOAGIKDWSEB-UYNSXLGHSA-N
InChi (Click to copy)
InChI=1S/C32H38O19/c1-10-19(37)24(42)29(51-31-26(44)23(41)21(39)17(49-31)9-46-30-25(43)20(38)15(36)8-45-30)32(47-10)50-28-22(40)18-14(35)6-13(34)7-16(18)48-27(28)11-2-4-12(33)5-3-11/h2-7,10,15,17,19-21,23-26,29-39,41-44H,8-9H2,1H3/t10-,15+,17+,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]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)O3)[C@H](O)[C@@H](O)[C@H](C)O2)C(=O)C2C(O)=CC(O)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
51
Rings
6
Aromatic Rings
3
Rotatable Bonds
8
Van der Waals Molecular Volume
601.19
Topological Polar Surface Area
314.33
Hydrogen Bond Donors
11
Hydrogen Bond Acceptors
19
logP
2.55
Molar Refractivity
173.41
Admin
Created at
-
Updated at
7th Jan 2022