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-hydroxytricosanamide

AlkaPlorer ID: AK052568

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-hydroxytricosanamide

Structure

SMILES: CCCCCCCCCCCCCCCCCCCCC[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/C48H95NO10/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-29-32-35-41(52)47(57)49-39(37-58-48-46(56)45(55)44(54)42(36-50)59-48)43(53)40(51)34-31-28-25-23-20-21-24-27-30-33-38(3)5-2/h38-46,48,50-56H,4-37H2,1-3H3,(H,49,57)/t38-,39+,40-,41-,42-,43+,44+,45+,46+,48-/m1/s1

InChIKey: ICQOKBMPMHXFEM-GRGBNKAESA-N

Reference

Identification of Sixteen New Galactocerebrosides from the Starfish Protoreaster nodosus

PubChem CID: 162956744

LOTUS: LTS0036587

SuperNatural Ⅲ: SN0142045-03

NPASS: NPC290290

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: 846.2849999999996

TPSA？: 192.66

MolLogP？: 9.369800000000009

Number of H-Donors: 8

Number of H-Acceptors: 10

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi