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
Main
Classification
Category
Main Class
Sub Class
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
References
Reference
Steroidal monoglycosides from the Far Eastern starfish Hippasteria kurilensis and hypothetic pathways of polyhydroxysteroid biosynthesis in starfish.
Steroids, 2009
DOI: 10.1016/j.steroids.2008.11.007
PMID: 19059276
Steroids, 2009
DOI: 10.1016/j.steroids.2008.11.007
PMID: 19059276
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Hippasteria
(#136939)
Asteroidea
(#7588)
Steroidal monoglycosides from the Far Eastern starfish Hippasteria kurilensis and hypothetic pathways of polyhydroxysteroid biosynthesis in starfish.,
Steroids, 2009
Steroids, 2009
Pubmed ID:
19059276
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