Structure Database (LMSD)
Common Name
Diffusoside C
Systematic Name
Synonyms
3D model of Diffusoside C
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
Level 4 Class
References
String Representations
InChiKey (Click to copy)
GJMJRPLSZYINRT-LIMUJUAMSA-N
InChi (Click to copy)
InChI=1S/C20H30O12/c1-8(23)6-29-11-3-9(4-21)13-14(11)10(18(27)28-2)7-30-19(13)32-20-17(26)16(25)15(24)12(5-22)31-20/h3,7-8,11-17,19-26H,4-6H2,1-2H3/t8-,11+,12+,13-,14+,15+,16-,17+,19-,20-/m0/s1
SMILES (Click to copy)
C1(C(=O)OC)[C@]2([H])[C@H](OC[C@@H](O)C)C=C(CO)[C@]2([H])[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)OC=1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
3
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
415.04
Topological Polar Surface Area
188.74
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
12
logP
0.29
Molar Refractivity
108.96
Admin
Created at
19th Oct 2020
Updated at
1st Feb 2021