Structure Database (LMSD)
Common Name
Apigenin 7-alpha-L-arabinofuranosyl-(1->6)-glucoside
Systematic Name
Synonyms
3D model of Apigenin 7-alpha-L-arabinofuranosyl-(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)
KLRQLDUULGSFDW-IHSBPELTSA-N
InChi (Click to copy)
InChI=1S/C26H28O14/c27-8-17-20(31)23(34)25(39-17)36-9-18-21(32)22(33)24(35)26(40-18)37-12-5-13(29)19-14(30)7-15(38-16(19)6-12)10-1-3-11(28)4-2-10/h1-7,17-18,20-29,31-35H,8-9H2/t17-,18+,20-,21+,22-,23+,24+,25+,26+/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@@H](O)[C@H](CO)O3)O2)=CC2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
5
Aromatic Rings
3
Rotatable Bonds
7
Van der Waals Molecular Volume
465.80
Topological Polar Surface Area
233.11
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
14
logP
2.56
Molar Refractivity
137.97
Admin
Created at
-
Updated at
20th Dec 2021