Structure Database (LMSD)
Common Name
Evasterioside D
Systematic Name
24S-(β-D-glucopyranosyloxy)-5-α-cholestan-3β,6α,8,15β-tetrol
Synonyms
- (20R,24S)-24-O-(beta-D-glucopyranosyl)-5alpha-cholestane-3beta,6alpha,8,15beta,24-pentaol
No other lipid differing only in stereochemistry/bond geometry found
3D model of Evasterioside 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)
NJUBTRJEDROBQK-RPXCZLKLSA-N
InChi (Click to copy)
InChI=1S/C33H58O10/c1-16(2)23(42-30-28(40)27(39)26(38)24(15-34)43-30)7-6-17(3)19-13-21(36)29-32(19,5)11-9-25-31(4)10-8-18(35)12-20(31)22(37)14-33(25,29)41/h16-30,34-41H,6-15H2,1-5H3/t17-,18+,19-,20-,21-,22+,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)C(C)C)C[C@@H](O)[C@@]4([H])[C@]3(O)C[C@H](O)[C@@]2([H])C[C@@H](O)C1
References
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
5
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
605.56
Topological Polar Surface Area
182.37
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
10
logP
4.47
Molar Refractivity
162.95
Admin
Created at
-
Updated at
5th Jul 2020