Structure Database (LMSD)
Common Name
Kaempferol 7-(6''-galloylglucoside)
Systematic Name
Synonyms
3D model of Kaempferol 7-(6''-galloylglucoside)
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)
PJGFYRIIZPHDJQ-JXOXKRRHSA-N
InChi (Click to copy)
InChI=1S/C28H24O15/c29-12-3-1-10(2-4-12)26-24(37)22(35)19-14(30)7-13(8-17(19)42-26)41-28-25(38)23(36)21(34)18(43-28)9-40-27(39)11-5-15(31)20(33)16(32)6-11/h1-8,18,21,23,25,28-34,36-38H,9H2/t18-,21-,23+,25-,28-/m1/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C3C=C(O)C(O)=C(O)C=3)=O)O2)=CC2OC(C3C=CC(O)=CC=3)=C(O)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
5
Aromatic Rings
4
Rotatable Bonds
7
Van der Waals Molecular Volume
487.73
Topological Polar Surface Area
259.11
Hydrogen Bond Donors
9
Hydrogen Bond Acceptors
15
logP
3.35
Molar Refractivity
145.10
Admin
Created at
-
Updated at
7th Jan 2022