Molecule

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

AlkaPlorer ID: AK100735

Synonym: None

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

Structure

SMILES: CCCCCCCCCCCCCCCCCCCC[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)CCCCCCCCCCCCCC

InChI: InChI=1S/C46H91NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-39(50)45(55)47-37(36-56-46-44(54)43(53)42(52)40(35-48)57-46)41(51)38(49)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h37-44,46,48-54H,3-36H2,1-2H3,(H,47,55)/t37-,38+,39+,40+,41-,42-,43-,44-,46+/m0/s1

InChIKey: YTAGQSULOHKBPZ-XAPCCYKYSA-N

Reference

Identification of Sixteen New Galactocerebrosides from the Starfish Protoreaster nodosus

PubChem CID: 162959871

LOTUS: LTS0245448

SuperNatural Ⅲ: SN0459475-03

NPASS: NPC138946

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Digitalis canariensis	Digitalis	Plantaginaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Discaria chacaye	Discaria	Rhamnaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Methanothermobacter thermautotrophicus	Methanothermobacter	Methanobacteriaceae	Methanobacteriales	Methanobacteria	Euryarchaeota	None	Archaea
Cephalotaxus sinensis	Cephalotaxus	Taxaceae	Cupressales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 818.2309999999995

TPSA？: 192.66

MolLogP？: 8.733700000000011

Number of H-Donors: 8

Number of H-Acceptors: 10

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi