Structure Database (LMSD)
Common Name
Kurilensoside E
Systematic Name
(25S)-3β-(2-O-methyl-β-D-xylopyranosyloxy)-5α-cholestan-4β,8,15α,16β,26-pentol
Synonyms
- (25S)-3-O-(2-O-methyl-beta-D-xylopyranosyl)-5alpha-cholestane-3beta,4beta,8,15alpha,16beta,26-hexol
3D model of Kurilensoside E
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)
QBIRGSQUIWXGOQ-CFSMESNZSA-N
InChi (Click to copy)
InChI=1S/C33H58O10/c1-17(15-34)7-6-8-18(2)23-26(38)27(39)29-32(23,4)13-11-22-31(3)12-10-21(24(36)19(31)9-14-33(22,29)40)43-30-28(41-5)25(37)20(35)16-42-30/h17-30,34-40H,6-16H2,1-5H3/t17-,18+,19-,20+,21-,22+,23-,24+,25-,26+,27-,28+,29+,30-,31-,32+,33-/m0/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC[C@@H](CO)C)[C@@H](O)[C@H](O)[C@@]4([H])[C@]3(O)CC[C@@]2([H])[C@@H](O)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2OC)C1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
5
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
605.56
Topological Polar Surface Area
171.37
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
10
logP
4.73
Molar Refractivity
163.12
Admin
Created at
-
Updated at
8th Mar 2021