Structure Database (LMSD)
Common Name
Rhizochalinin D
Systematic Name
Synonyms
3D model of Rhizochalinin D
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
ZOLNKPLWFFLILG-XJHBATEFSA-N
InChi (Click to copy)
InChI=1S/C35H70N2O8/c1-26(36)29(40)23-19-15-12-11-14-18-22-28(39)21-17-13-9-7-5-3-4-6-8-10-16-20-24-30(27(2)37)44-35-34(43)33(42)32(41)31(25-38)45-35/h26-27,29-35,38,40-43H,3-25,36-37H2,1-2H3/t26-,27-,29-,30-,31-,32-,33+,34-,35-/m1/s1
SMILES (Click to copy)
C[C@@H](N)[C@H](O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)CCCCCCCCCCCCCCC(=O)CCCCCCCC[C@@H](O)[C@H](N)C
References
Calculated Physicochemical Properties
Heavy Atoms
45
Rings
1
Aromatic Rings
0
Rotatable Bonds
29
Van der Waals Molecular Volume
691.38
Topological Polar Surface Area
190.79
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
10
logP
7.24
Molar Refractivity
183.62
Admin
Created at
-
Updated at
11th Sep 2021