Structure Database (LMSD)
Common Name
Kaempferol 3-[2'''-acetyl-alpha-L-arabinopyranosyl-(1->6)-galactoside]
Systematic Name
Synonyms
3D model of Kaempferol 3-[2'''-acetyl-alpha-L-arabinopyranosyl-(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)
DQRYUGWCHIIJRX-QHGCNJJSSA-N
InChi (Click to copy)
InChI=1S/C28H30O16/c1-10(29)41-26-19(34)15(33)8-39-28(26)40-9-17-20(35)22(37)23(38)27(43-17)44-25-21(36)18-14(32)6-13(31)7-16(18)42-24(25)11-2-4-12(30)5-3-11/h2-7,15,17,19-20,22-23,26-28,30-35,37-38H,8-9H2,1H3/t15-,17+,19-,20-,22-,23+,26+,27-,28-/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO[C@H]4[C@H](OC(C)=O)[C@@H](O)[C@@H](O)CO4)O3)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
5
Aromatic Rings
3
Rotatable Bonds
8
Van der Waals Molecular Volume
515.34
Topological Polar Surface Area
259.41
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
16
logP
2.84
Molar Refractivity
149.18
Admin
Created at
-
Updated at
5th Jan 2022