Structure Database (LMSD)

OH H OH OH O HO HO O OH OH H OH H H
Common Name
Linckoside H
Systematic Name
(25S)-3-O-(β-D-xylopyranosyl)-cholest-4,24(28)-diene-3β,6β,8,15α,16β,26-hexaol
Synonyms
LM ID
LMST05050041
Formula
C33H54O10
Exact Mass
Calculate m/z
610.3717
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]
Ergosterols and C24-methyl derivatives [ST0103]

String Representations

InChiKey (Click to copy)
LZVGJJXRXSGPRB-XHVWNEPDSA-N
InChi (Click to copy)
InChI=1S/C33H54O10/c1-16(18(3)14-34)6-7-17(2)24-26(38)27(39)29-32(24,5)11-9-23-31(4)10-8-19(12-20(31)21(35)13-33(23,29)41)43-30-28(40)25(37)22(36)15-42-30/h12,17-19,21-30,34-41H,1,6-11,13-15H2,2-5H3/t17-,18-,19+,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)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]2O)C1

References

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

Other Databases

PubChem CID
163027672

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 5
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 600.28
Topological Polar Surface Area 182.37
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 10
logP 4.16
Molar Refractivity 162.83

Admin

Created at
21st Dec 2020
Updated at
19th Feb 2024