Structure Database (LMSD)

Common Name
Linkckoside F
Systematic Name
(25S)-3-O-(2-O-methyl-β-D-xylopyranosyl)-cholest-4,24(28)-diene-3β,6β,8,15α,16β,26-hexaol
Synonyms
LM ID
LMST05050040
Status
Active
Exact Mass
Calculate m/z
624.38735
Formula


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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
HIIKKCBWJRFJBP-HYMVMEEQSA-N
InChi (Click to copy)
InChI=1S/C34H56O10/c1-17(19(3)15-35)7-8-18(2)25-27(39)28(40)30-33(25,5)12-10-24-32(4)11-9-20(13-21(32)22(36)14-34(24,30)41)44-31-29(42-6)26(38)23(37)16-43-31/h13,18-20,22-31,35-41H,1,7-12,14-16H2,2-6H3/t18-,19-,20+,22-,23-,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,34+/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(=C)[C@@H](CO)C)[C@@H](O)[C@H](O)[C@@]4([H])[C@]3(O)C[C@@H](O)C2=C[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2OC)C1

References

Reference
Structure-activity relationships of novel neuritogenic steroid glycosides from the Okinawan starfish Linckia laevigata.
Bioorg Med Chem, 2006
DOI: 10.1016/j.bmc.2006.02.032
PMID: 16524736

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Linckia laevigata (#109185)
Asteroidea (#7588)
Two new polyhydroxylated steroidal glycosides from the starfish Culcita novaeguineae,
J Nat Prod, 2020
Pubmed ID: 33336584

Calculated Physicochemical Properties

Heavy Atoms 44
Rings 5
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 617.58
Topological Polar Surface Area 171.37
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 10
logP 4.82
Molar Refractivity 167.62

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Created at
21st Dec 2020
Updated at
21st Dec 2020