Molecule

Acanthacerebroside B

AlkaPlorer ID: AK026406

Synonym: ''

IUPAC Name: (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-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)CCCCCCCCCCCC

InChI: InChI=1S/C44H87NO10/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-37(48)43(53)45-35(34-54-44-42(52)41(51)40(50)38(33-46)55-44)39(49)36(47)31-29-27-25-23-14-12-10-8-6-4-2/h35-42,44,46-52H,3-34H2,1-2H3,(H,45,53)/t35-,36+,37+,38+,39-,40+,41-,42+,44+/m0/s1

InChIKey: KQYMTELMIRHEAQ-GDGDGXLOSA-N

Reference

Biologically active glycosides from asteroidea, XIII. Glycosphingolipids from the starfish <i>Acanthaster planci</i>, 2. Isolation and structure of six new cerebrosides

PubChem CID: 101188275

LOTUS: LTS0176697

SuperNatural Ⅲ: SN0193038-01

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Luidia maculata	Luidia	Luidiidae	Paxillosida	Asteroidea	Echinodermata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 790.1769999999997

TPSA？: 192.66

MolLogP？: 7.953500000000015

Number of H-Donors: 8

Number of H-Acceptors: 10

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi