Structure Database (LMSD)

Common Name
Fuscaside B
Systematic Name
(24S)-3,24-di-O-(β-D-xylopyranosyl)-5α-cholestane-3β,6β,8,15α,24-pentol
Synonyms
LM ID
LMST05050036
Status
Active
Exact Mass
Calculate m/z
700.43978
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)
YXEPNYVZWCVYPE-SSDFDMOKSA-N
InChi (Click to copy)
InChI=1S/C37H64O12/c1-17(2)28(49-35-33(45)31(43)27(41)16-47-35)7-6-18(3)22-14-25(39)29-20-13-24(38)23-12-19(48-34-32(44)30(42)26(40)15-46-34)8-10-36(23,4)21(20)9-11-37(22,29)5/h17-35,38-45H,6-16H2,1-5H3/t18-,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)
C1C[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C[C@]2([H])[C@H](O)C[C@]3([H])[C@@]([H])([C@]21C)CC[C@]1(C)[C@@]([H])([C@@H](CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](C)C)C)C[C@H](O)[C@]13[H]

References

Reference
Polar steroid compounds from the Arctic starfish Asterias microdiscus and their cytotoxic properties against normal and tumor cells in vitro.
Nat Prod Res, 2020
DOI: 10.1080/14786419.2020.1834551
PMID: 33084411

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Asterias (#7601)
Asteroidea (#7588)
Polar steroid compounds from the Arctic starfish Asterias microdiscus and their cytotoxic properties against normal and tumor cells in vitro.,
Nat Prod Res, 2020
Pubmed ID: 33084411

Calculated Physicochemical Properties

Heavy Atoms 49
Rings 6
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 679.98
Topological Polar Surface Area 202.90
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 12
logP 5.31
Molar Refractivity 183.62

Admin

Created at
22nd Oct 2020
Updated at
22nd Oct 2020