Molecule

UNPD56655

AlkaPlorer ID: AK180703

Synonym: None

IUPAC Name: (2R)-N-[(Z,2S,3S,4R)-1-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxydocos-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]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)N=C(O)[C@H](O)CCCCCCCCCCCCCC

InChI: InChI=1S/C50H95NO15/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-37(54)41(56)36(51-48(62)38(55)32-30-28-26-24-21-16-14-12-10-8-6-4-2)35-63-49-46(61)44(59)47(40(34-53)65-49)66-50-45(60)43(58)42(57)39(33-52)64-50/h17-18,36-47,49-50,52-61H,3-16,19-35H2,1-2H3,(H,51,62)/b18-17-/t36-,37+,38+,39+,40+,41-,42-,43-,44+,45+,46+,47+,49+,50-/m0/s1

InChIKey: XZJGFOJUEDROQK-QZAKYKTPSA-N

Reference

Biologically active glycosides from asteroidea, XVII. Glycosphingolipids from the starfish <i>Acanthaster planci</i>, 3. Isolation and structure of two new ceramide lactosides

PubChem CID: 162925967

LOTUS: LTS0189109

SuperNatural Ⅲ: SN0444135-01

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Acanthaster planci	Acanthaster	Acanthasteridae	Valvatida	Asteroidea	Echinodermata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 950.3019999999996

TPSA？: 271.80999999999995

MolLogP？: 5.553700000000005

Number of H-Donors: 11

Number of H-Acceptors: 15

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi