Structure Database (LMSD)
Common Name
Pongamoside D
Systematic Name
Synonyms
3D model of Pongamoside D
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
RQSSRCUNGIYPIQ-PUIBNRJISA-N
InChi (Click to copy)
InChI=1S/C23H22O11/c1-29-22-17(25)12-4-3-11(32-23-20(28)19(27)18(26)16(8-24)34-23)7-14(12)33-21(22)10-2-5-13-15(6-10)31-9-30-13/h2-7,16,18-20,23-24,26-28H,8-9H2,1H3/t16-,18-,19+,20-,23-/m1/s1
SMILES (Click to copy)
C1C=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=C2OC(C3C=C4OCOC4=CC=3)=C(OC)C(=O)C=12
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
34
Rings
5
Aromatic Rings
3
Rotatable Bonds
5
Van der Waals Molecular Volume
387.53
Topological Polar Surface Area
163.49
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
11
logP
2.99
Molar Refractivity
118.15
Admin
Created at
-
Updated at
11th Jan 2022