Structure Database (LMSD)
Common Name
Kurilensoside H
Systematic Name
(25S)-3β-(β-D-xylopyranosyloxy)-4β,5β-epoxycholestan-6β,8,15α,16β,26-pentol
Synonyms
- (25S)-3-O-(beta-D-xylopyranosyl)-4beta,5beta-epoxycholestan-3beta,6beta,8,15alpha,16beta,26-hexol
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
SOVMHZODGWLPJC-HMRISKBOSA-N
InChi (Click to copy)
InChI=1S/C32H54O11/c1-15(13-33)6-5-7-16(2)21-23(37)24(38)26-29(21,3)10-9-19-30(4)11-8-18(42-28-25(39)22(36)17(34)14-41-28)27-32(30,43-27)20(35)12-31(19,26)40/h15-28,33-40H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,22-,23+,24-,25+,26+,27-,28-,29+,30+,31-,32-/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)C[C@@H](O)[C@]32O[C@H]3[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)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
6
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
584.69
Topological Polar Surface Area
194.90
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
11
logP
3.78
Molar Refractivity
158.85
Admin
Created at
-
Updated at
8th Mar 2021