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
LM ID
LMST05050014
Status
Active
Exact Mass
Calculate m/z
614.403
Formula


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MDLMOL SDF CSV TSV
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Main

Classification

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

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
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

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Created at
-
Updated at
8th Mar 2021