Structure Database (LMSD)
Common Name
7-O-Methyltectorigenin 4'-O-galactoside
Systematic Name
Synonyms
3D model of 7-O-Methyltectorigenin 4'-O-galactoside
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)
YIOGKKRAFIMIAE-SCOKAQRDSA-N
InChi (Click to copy)
InChI=1S/C23H24O11/c1-30-14-7-13-16(19(27)22(14)31-2)17(25)12(9-32-13)10-3-5-11(6-4-10)33-23-21(29)20(28)18(26)15(8-24)34-23/h3-7,9,15,18,20-21,23-24,26-29H,8H2,1-2H3/t15-,18+,20+,21-,23-/m1/s1
SMILES (Click to copy)
C1(OC)C(OC)=C(O)C2C(=O)C(C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O4)=CC=3)=COC=2C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
34
Rings
4
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
399.89
Topological Polar Surface Area
170.35
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
11
logP
2.98
Molar Refractivity
120.24
Admin
Created at
-
Updated at
18th Oct 2021