Structure Database (LMSD)

O H OH OH HO HO HO HO O HO H OH H H H
Common Name
Evasterioside D
Systematic Name
24S-(β-D-glucopyranosyloxy)-5-α-cholestan-3β,6α,8,15β-tetrol
Synonyms
  • (20R,24S)-24-O-(beta-D-glucopyranosyl)-5alpha-cholestane-3beta,6alpha,8,15beta,24-pentaol
LM ID
LMST05050009
Formula
C33H58O10
Exact Mass
Calculate m/z
614.403
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroid conjugates [ST05]
Other Steroid conjugates [ST0505]
Sterols [ST01]
Cholesterol and derivatives [ST0101]

String Representations

InChiKey (Click to copy)
NJUBTRJEDROBQK-RPXCZLKLSA-N
InChi (Click to copy)
InChI=1S/C33H58O10/c1-16(2)23(42-30-28(40)27(39)26(38)24(15-34)43-30)7-6-17(3)19-13-21(36)29-32(19,5)11-9-25-31(4)10-8-18(35)12-20(31)22(37)14-33(25,29)41/h16-30,34-41H,6-15H2,1-5H3/t17-,18+,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)CC[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)C(C)C)C[C@@H](O)[C@@]4([H])[C@]3(O)C[C@H](O)[C@@]2([H])C[C@@H](O)C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Evasterias (#7615)
Asteroidea (#7588)
[Steroid compounds from two pacific starfish of the genus Evasterias].,
Bioorg Khim, 2009
Pubmed ID: 19377532

Other Databases

PubChem CID
52931560

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 5
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 605.56
Topological Polar Surface Area 182.37
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 10
logP 4.47
Molar Refractivity 162.95

Admin

Created at
-
Updated at
5th Jul 2020