Molecule

199480-73-4

AlkaPlorer ID: AK028365

Synonym: None

IUPAC Name: (Z,2R)-10-[(1S,2S)-2-decylcyclopropyl]-N-[(Z,2S,3R)-12-[(1S,2S)-2-decylcyclopropyl]-1-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3-methylbut-2-enoxy)oxan-2-yl]oxy-3-hydroxydodec-7-en-2-yl]-2-hydroxydec-5-enamide

Structure

SMILES: CCCCCCCCCC[C@H]1C[C@@H]1CCCC/C=C\CCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OCC=C(C)C)N=C(O)[C@H](O)CC/C=C\CCCC[C@H]1C[C@@H]1CCCCCCCCCC

InChI: InChI=1S/C59H107NO9/c1-5-7-9-11-13-16-22-28-34-47-42-49(47)36-30-24-18-15-19-26-32-38-52(62)51(45-68-59-57(67-41-40-46(3)4)56(65)55(64)54(44-61)69-59)60-58(66)53(63)39-33-27-21-20-25-31-37-50-43-48(50)35-29-23-17-14-12-10-8-6-2/h15,19,21,27,40,47-57,59,61-65H,5-14,16-18,20,22-26,28-39,41-45H2,1-4H3,(H,60,66)/b19-15-,27-21-/t47-,48-,49-,50-,51-,52+,53+,54+,55-,56-,57+,59+/m0/s1

InChIKey: VXRKQDJTQHPQIU-AKGISCBGSA-N

Reference

Glycolipids from Sponges. 6.<sup>1</sup> Plakoside A and B, Two Unique Prenylated Glycosphingolipids with Immunosuppressive Activity from the Marine Sponge <i>Plakortis simplex</i>

PubChem CID: 162923525

LOTUS: LTS0118600

SuperNatural Ⅲ: SN0402882-03

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Plakortis simplex	Plakortis	Plakinidae	Homosclerophorida	Homoscleromorpha	Porifera	Metazoa	Eukaryota

Properties Information

Molecule Weight: 974.502999999999

TPSA？: 161.43

MolLogP？: 13.357799999999983

Number of H-Donors: 6

Number of H-Acceptors: 9

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi