Structure Database (LMSD)

Common Name
Kurilensoside J
Systematic Name
3β-(2-O-3β-(2-O-methyl-β-D-xylopyranosyloxy)-24S-(α-L-arabinofuranosyloxy)-5α-cholestan-4β,6β,15α-triol-β-D-xylopyranosyloxy)-24R-[2-O-methyl-β-D-xylopyranosyl-(1-5)-α-L-arabinofuranosyloxy]-5α-cholest-22E-en-4β,6α,7α,8,15β-pentol
Synonyms
  • (24S)-3-O-(2-O-methyl-beta-D-xylopyranosyl)-24-O-(alpha-L-arabinofuranosyl)-5alpha-cholestane-3beta,4beta,6beta,15alpha,24-pentaol
LM ID
LMST05050020
Status
Active
Exact Mass
Calculate m/z
732.42961
Formula


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MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
KHUZIKFEVDFTLS-HCBRJGQTSA-N
InChi (Click to copy)
InChI=1S/C37H64O14/c1-16(2)22(49-33-29(44)28(43)32(45)51-33)8-7-17(3)18-13-19(38)31-35(18,4)12-10-24-36(5)11-9-23(27(42)25(36)20(39)14-37(24,31)46)50-34-30(47-6)26(41)21(40)15-48-34/h16-34,38-46H,7-15H2,1-6H3/t17-,18-,19+,20-,21-,22+,23+,24-,25+,26+,27+,28-,29-,30-,31-,32-,33-,34+,35-,36-,37+/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)O5)C(C)C)C[C@H](O)[C@@]4([H])[C@]3(O)C[C@@H](O)[C@@]2([H])[C@@H](O)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2OC)C1

References

Reference
Two new steroid glycosides from the Far East starfish Hippasteria kurilensis
Bioorg Khim, 2009
DOI: 10.1134/s106816200904013x
PMID: 19928059

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Hippasteria (#136939)
Asteroidea (#7588)
[Two new steroid glycosides from the Far East starfish Hippasteria kurilensis].,
Bioorg Khim, 2009
Pubmed ID: 19928059

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 51
Rings 6
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 697.56
Topological Polar Surface Area 232.36
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 14
logP 4.30
Molar Refractivity 186.93

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Created at
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Updated at
13th Sep 2021