Structure Database (LMSD)
Common Name
4'-O-Methyldavidioside
Systematic Name
4,2'-Dihydroxy-4'-methoxydihydrochalcone 2'-glucoside
Synonyms
3D model of 4'-O-Methyldavidioside
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
String Representations
InChiKey (Click to copy)
ZZYCSCHEPKHDHN-QMCAAQAGSA-N
InChi (Click to copy)
InChI=1S/C22H26O9/c1-29-14-7-8-15(16(25)9-4-12-2-5-13(24)6-3-12)17(10-14)30-22-21(28)20(27)19(26)18(11-23)31-22/h2-3,5-8,10,18-24,26-28H,4,9,11H2,1H3/t18-,19-,20+,21-,22-/m1/s1
SMILES (Click to copy)
C1(OC)C=CC(C(=O)CCC2C=CC(O)=CC=2)=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
3
Aromatic Rings
2
Rotatable Bonds
8
Van der Waals Molecular Volume
390.91
Topological Polar Surface Area
147.98
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
9
logP
2.11
Molar Refractivity
111.20
Admin
Created at
-
Updated at
5th Jun 2024