Structure Database (LMSD)

Common Name
Asteriidoside L
Systematic Name
3β-(β-D-xylopyranosyloxy)-6β,8β,15α-trihydroxy-campest-22E-en-28-yl sulfate
Synonyms
LM ID
LMST05050011
Status
Active
Exact Mass
Calculate m/z
676.349252
Formula


Download as...
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)
HOPGMEPQEXMAFV-DZHKRNPFSA-N
InChi (Click to copy)
InChI=1S/C33H56O12S/c1-17(2)19(15-44-46(40,41)42)7-6-18(3)21-13-23(34)29-32(21,5)11-9-26-31(4)10-8-20(12-22(31)24(35)14-33(26,29)39)45-30-28(38)27(37)25(36)16-43-30/h6-7,17-30,34-39H,8-16H2,1-5H3,(H,40,41,42)/b7-6+/t18-,19+,20+,21-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)/C=C/[C@@H](COS(=O)(O)=O)C(C)C)C[C@H](O)[C@@]4([H])[C@]3(O)C[C@@H](O)[C@@]2([H])C[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C1

References

Reference
Starfish Saponins. 55. Isolation, Structure Elucidation, and Biological Activity of the Steroid Oligoglycosides From an Antarctic Starfish of the Family Asteriidae
J Nat Prod. 1998
DOI: 10.1021/np970500e
PMID: 9834144

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Asteriidae (#7600)
Asteroidea (#7588)
Starfish saponins. 55. Isolation, structure elucidation, and biological activity of the steroid oligoglycosides from an Antarctic starfish of the family Asteriidae.,
J Nat Prod, 1998
Pubmed ID: 9834144

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 46
Rings 5
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 639.01
Topological Polar Surface Area 205.51
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 12
logP 5.92
Molar Refractivity 171.21

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Created at
-
Updated at
4th Jul 2020