Structure Database (LMSD)
Common Name
Formononetin 7-O-apiosyl-(1->2)-glucoside
Systematic Name
4'-Methoxy-7-[(2-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]isoflavone
Synonyms
- Glycyroside
3D model of Formononetin 7-O-apiosyl-(1->2)-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)
TUUBGLDJKKCMRH-LDSFXQROSA-N
InChi (Click to copy)
InChI=1S/C27H30O13/c1-35-14-4-2-13(3-5-14)17-10-36-18-8-15(6-7-16(18)20(17)30)38-25-23(22(32)21(31)19(9-28)39-25)40-26-24(33)27(34,11-29)12-37-26/h2-8,10,19,21-26,28-29,31-34H,9,11-12H2,1H3/t19-,21-,22+,23-,24+,25-,26+,27-/m1/s1
SMILES (Click to copy)
O1C[C@@](CO)(O)[C@@H](O)[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC1=CC2=C(C(C(=CO2)C2=CC=C(C=C2)OC)=O)C=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
5
Aromatic Rings
3
Rotatable Bonds
8
Van der Waals Molecular Volume
474.31
Topological Polar Surface Area
201.88
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
13
logP
3.16
Molar Refractivity
141.19
Admin
Created at
-
Updated at
17th Jun 2024