Structure Database (LMSD)
Common Name
Kaempferol 3-[2''',3''',4'''-triacetyl-alpha-L-arabinopyranosyl-(1->6)-glucoside]
Systematic Name
Synonyms
3D model of Kaempferol 3-[2''',3''',4'''-triacetyl-alpha-L-arabinopyranosyl-(1->6)-glucoside]
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)
IOLQBAHNCVLDFS-PORTXAGJSA-N
InChi (Click to copy)
InChI=1S/C32H34O18/c1-12(33)45-21-11-44-32(30(47-14(3)35)28(21)46-13(2)34)43-10-20-23(39)25(41)26(42)31(49-20)50-29-24(40)22-18(38)8-17(37)9-19(22)48-27(29)15-4-6-16(36)7-5-15/h4-9,20-21,23,25-26,28,30-32,36-39,41-42H,10-11H2,1-3H3/t20-,21+,23-,25+,26-,28+,30-,31+,32-/m1/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](OC(C)=O)[C@@H](OC(C)=O)CO4)O3)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
50
Rings
5
Aromatic Rings
3
Rotatable Bonds
12
Van der Waals Molecular Volume
596.84
Topological Polar Surface Area
271.55
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
18
logP
3.98
Molar Refractivity
168.27
Admin
Created at
-
Updated at
7th Jan 2022