Molecule

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

AlkaPlorer ID: AK070219

Synonym: None

IUPAC Name: (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-15-methyl-1-[(2R,3R,4S,5S,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-XKFNKPFMSA-N

Reference

Biologically Active Glycosides from Asteroidea, 41. Isolation and Structure Determination of Glucocerebrosides from the Starfish Linckia laevigata

PubChem CID: 101698271

LOTUS: LTS0209843

SuperNatural Ⅲ: SN0408476-05

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Patiria pectinifera	Patiria	Asterinidae	Valvatida	Asteroidea	Echinodermata	Metazoa	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