Structure Database (LMSD)
Common Name
Kaempferol 3,4'-dixyloside
Systematic Name
Synonyms
3D model of Kaempferol 3,4'-dixyloside
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)
YNKIBLGJGUIIRI-BXOPJBGDSA-N
InChi (Click to copy)
InChI=1S/C25H26O14/c26-10-5-12(27)16-15(6-10)38-22(23(19(16)32)39-25-21(34)18(31)14(29)8-36-25)9-1-3-11(4-2-9)37-24-20(33)17(30)13(28)7-35-24/h1-6,13-14,17-18,20-21,24-31,33-34H,7-8H2/t13-,14-,17+,18+,20-,21-,24+,25+/m1/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)CO3)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
39
Rings
5
Aromatic Rings
3
Rotatable Bonds
5
Van der Waals Molecular Volume
448.50
Topological Polar Surface Area
233.11
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
14
logP
2.27
Molar Refractivity
133.21
Admin
Created at
-
Updated at
5th Jan 2022