Structure Database (LMSD)
Common Name
Apigenin 5-(6''-malonylglucoside)
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Apigenin 5-(6''-malonylglucoside)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
HAEMQOGVHIZSOW-ASDZUOGYSA-N
InChi (Click to copy)
InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)14-7-13(27)20-15(35-14)5-12(26)6-16(20)36-24-23(33)22(32)21(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,21-26,31-33H,8-9H2,(H,28,29)/t17-,21-,22+,23-,24-/m1/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(=O)O)O2)=C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
37
Rings
4
Aromatic Rings
3
Rotatable Bonds
8
Van der Waals Molecular Volume
429.49
Topological Polar Surface Area
215.49
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
13
logP
2.69
Molar Refractivity
124.93
Admin
Created at
-
Updated at
29th Nov 2021