Molecule

(2R)-2-hydroxy-N-[(2S,3R,4E,10E)-3-hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,10-dien-2-yl]docosanamide

AlkaPlorer ID: AK152701

Synonym: None

IUPAC Name: (2R)-2-hydroxy-N-[(2S,3R,4E,10E)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,10-dien-2-yl]docosanamide

Structure

SMILES: CCCCCCC/C=C/CCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N=C(O)[C@H](O)CCCCCCCCCCCCCCCCCCCC

InChI: InChI=1S/C46H87NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-40(50)45(54)47-38(37-55-46-44(53)43(52)42(51)41(36-48)56-46)39(49)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h16,22,32,34,38-44,46,48-53H,3-15,17-21,23-31,33,35-37H2,1-2H3,(H,47,54)/b22-16+,34-32+/t38-,39+,40+,41+,42+,43-,44+,46+/m0/s1

InChIKey: NSHYXBHCRIQFIR-DSQOPNTBSA-N

Reference

Biologically active glycosides from asteroidea, XIII. Glycosphingolipids from the starfish <i>Acanthaster planci</i>, 2. Isolation and structure of six new cerebrosides

PubChem CID: 13942529

LOTUS: LTS0209949

SuperNatural Ⅲ: SN0253946-03

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Acanthaster planci	Acanthaster	Acanthasteridae	Valvatida	Asteroidea	Echinodermata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 798.1999999999988

TPSA？: 172.43

MolLogP？: 9.314900000000009

Number of H-Donors: 7

Number of H-Acceptors: 9

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi