Molecule

UNPD193239

AlkaPlorer ID: AK152693

Synonym: None

IUPAC Name: (2R)-N-[(Z,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocos-13-en-2-yl]-2-hydroxyhexadecanamide

Structure

SMILES: CCCCCCCC/C=C\CCCCCCCC[C@@H](O)[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/C44H85NO10/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-36(47)39(49)35(34-54-44-42(52)41(51)40(50)38(33-46)55-44)45-43(53)37(48)32-30-28-26-24-21-16-14-12-10-8-6-4-2/h17-18,35-42,44,46-52H,3-16,19-34H2,1-2H3,(H,45,53)/b18-17-/t35-,36+,37+,38+,39-,40+,41-,42+,44+/m0/s1

InChIKey: BKKFDSTXHRQKIS-WUPIGWJHSA-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: 13942515

LOTUS: LTS0178068

SuperNatural Ⅲ: SN0028002-02

Source

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

Properties Information

Molecule Weight: 788.1609999999993

TPSA？: 192.66

MolLogP？: 7.729500000000012

Number of H-Donors: 8

Number of H-Acceptors: 10

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi