Molecule

(2R)-N-[(2S,3S,4R,16R)-3,4-dihydroxy-16-methyl-1-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadecan-2-yl]-2-hydroxydocosanamide

AlkaPlorer ID: AK052487

Synonym: None

IUPAC Name: (2R)-N-[(2S,3S,4R,16R)-3,4-dihydroxy-16-methyl-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)CCCCCCCCCCC[C@H](C)CC

InChI: InChI=1S/C47H93NO10/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28-31-34-40(51)46(56)48-38(36-57-47-45(55)44(54)43(53)41(35-49)58-47)42(52)39(50)33-30-27-24-22-19-20-23-26-29-32-37(3)5-2/h37-45,47,49-55H,4-36H2,1-3H3,(H,48,56)/t37-,38+,39-,40-,41-,42+,43+,44+,45+,47-/m1/s1

InChIKey: XCLWGCRMVJAAFU-QOPBSNGMSA-N

Reference

Identification of Sixteen New Galactocerebrosides from the Starfish Protoreaster nodosus

PubChem CID: 163019668

LOTUS: LTS0274304

SuperNatural Ⅲ: SN0426405-03

NPASS: NPC219774

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: 832.2579999999996

TPSA？: 192.66

MolLogP？: 8.97970000000001

Number of H-Donors: 8

Number of H-Acceptors: 10

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi