Molecule

(2R)-N-[(2R,3S,4R)-3,4-dihydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadecan-2-yl]-2-hydroxyicosanamide

AlkaPlorer ID: AK250317

Synonym: None

IUPAC Name: (2R)-N-[(2R,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecan-2-yl]-2-hydroxyicosanamide

Structure

SMILES: CCCCCCCCCCCCCCCCCC[C@@H](O)C(O)=N[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCC

InChI: InChI=1S/C42H83NO10/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-35(46)41(51)43-33(32-52-42-40(50)39(49)38(48)36(31-44)53-42)37(47)34(45)29-27-25-23-21-14-12-10-8-6-4-2/h33-40,42,44-50H,3-32H2,1-2H3,(H,43,51)/t33-,34-,35-,36-,37+,38-,39+,40-,42-/m1/s1

InChIKey: ARXKOOOSTDORGA-ZQMSKURPSA-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: 162983175

LOTUS: LTS0195747

SuperNatural Ⅲ: SN0013733-01

Source

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

Properties Information

Molecule Weight: 762.1229999999995

TPSA？: 192.66

MolLogP？: 7.173300000000012

Number of H-Donors: 8

Number of H-Acceptors: 10

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi