Molecule

199480-72-3

AlkaPlorer ID: AK028336

Synonym: None

IUPAC Name: (Z,2R)-10-[(1S,2S)-2-decylcyclopropyl]-N-[(2S,3R)-10-[(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-hydroxydecan-2-yl]-2-hydroxydec-5-enamide

Structure

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

InChI: InChI=1S/C57H105NO9/c1-5-7-9-11-13-15-20-26-32-45-40-47(45)34-28-22-17-18-24-31-37-51(61)56(64)58-49(43-66-57-55(65-39-38-44(3)4)54(63)53(62)52(42-59)67-57)50(60)36-30-25-19-23-29-35-48-41-46(48)33-27-21-16-14-12-10-8-6-2/h18,24,38,45-55,57,59-63H,5-17,19-23,25-37,39-43H2,1-4H3,(H,58,64)/b24-18-/t45-,46-,47-,48-,49-,50+,51+,52+,53-,54-,55+,57+/m0/s1

InChIKey: YYLGLAVLOKSOMN-VAEANIDASA-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: 163045152

LOTUS: LTS0050173

SuperNatural Ⅲ: SN0463656-04

Source

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

Properties Information

Molecule Weight: 948.464999999999

TPSA？: 161.42999999999998

MolLogP？: 12.801599999999985

Number of H-Donors: 6

Number of H-Acceptors: 9

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi