Molecule

(2R)-N-[(2S,3S,4R)-3,4-dihydroxy-15-methyl-1-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadecan-2-yl]-2-hydroxydocosanamide

AlkaPlorer ID: AK070222

Synonym: None

IUPAC Name: (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-15-methyl-1-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecan-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)C

InChI: InChI=1S/C45H89NO10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-38(49)44(54)46-36(34-55-45-43(53)42(52)41(51)39(33-47)56-45)40(50)37(48)31-28-25-22-20-19-21-24-27-30-35(2)3/h35-43,45,47-53H,4-34H2,1-3H3,(H,46,54)/t36-,37+,38+,39+,40-,41-,42-,43-,45+/m0/s1

InChIKey: WEZNHIWHEVJNDO-DNDSGMOKSA-N

Reference

Identification of Sixteen New Galactocerebrosides from the Starfish Protoreaster nodosus

PubChem CID: 163001345

LOTUS: LTS0096843

SuperNatural Ⅲ: SN0408476-01

NPASS: NPC138668

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: 804.2039999999997

TPSA？: 192.66

MolLogP？: 8.199500000000015

Number of H-Donors: 8

Number of H-Acceptors: 10

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi