Molecule

(2R)-2-hydroxy-N-[(2R,3S,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]tricosanamide

AlkaPlorer ID: AK150753

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]tricosanamide

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)CCCCCCCCCCCCCCCCCCCCC

InChI: InChI=1S/C47H89NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(51)46(55)48-39(38-56-47-45(54)44(53)43(52)42(37-49)57-47)40(50)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h16,23,33,35,39-45,47,49-54H,3-15,17-22,24-32,34,36-38H2,1-2H3,(H,48,55)/b23-16+,35-33+/t39-,40+,41+,42+,43+,44-,45+,47+/m0/s1

InChIKey: BLRVYRIFDZHMRD-SBWXYQRLSA-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: 13942533

LOTUS: LTS0265575

Source

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

Properties Information

Molecule Weight: 812.2269999999987

TPSA？: 172.43

MolLogP？: 9.705000000000004

Number of H-Donors: 7

Number of H-Acceptors: 9

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi