Molecule

UNPD22071

AlkaPlorer ID: AK123858

Synonym: None

IUPAC Name: (2R)-2-hydroxy-N-[(2S,3R,4E,9Z)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosa-4,9-dien-2-yl]hexadecanamide

Structure

SMILES: CCCCCCCCCCCC/C=C\CCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N=C(O)[C@H](O)CCCCCCCCCCCCCC

InChI: InChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-37(47)36(35-53-44-42(51)41(50)40(49)39(34-46)54-44)45-43(52)38(48)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h21,23,30,32,36-42,44,46-51H,3-20,22,24-29,31,33-35H2,1-2H3,(H,45,52)/b23-21-,32-30+/t36-,37+,38+,39+,40+,41-,42+,44+/m0/s1

InChIKey: LEQQMGMXCABIAW-OHHKIWJVSA-N

Reference

Biologically active glycosides from asteroidea, XXVIII. Glycosphingolipids from the starfish <i>Asterias amurensis versicolor</i> Sladen, 1. Isolation and structure of six new cerebrosides, asteriacerebrosides AF, and two known cerebrosides, astrocerebroside A and acanthacerebroside C

PubChem CID: 15693324

LOTUS: LTS0206469

SuperNatural Ⅲ: SN0203379-01

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Asterias amurensis	Asterias	Asteriidae	Forcipulatida	Asteroidea	Echinodermata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 770.1459999999993

TPSA？: 172.43

MolLogP？: 8.534700000000011

Number of H-Donors: 7

Number of H-Acceptors: 9

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi