Aeruginoside 126A; 3''R-Chloro, 4'''-sulfate
AlkaPlorer ID: AK283434
Synonym: Aeruginosin 828A
IUPAC Name: None
Structure
SMILES: CC(C)C(Cl)C(N=C(O)C(O)CC1=CC=CC=C1)C(=O)N1C(C(=O)NCCC2=CCN(C(=N)N)C2)CC2CCC(OC3OCC(OS(=O)(=O)O)C(O)C3O)CC21
InChI: InChI=1S/C36H53ClN6O12S/c1-19(2)28(37)29(41-33(48)26(44)14-20-6-4-3-5-7-20)34(49)43-24-16-23(54-35-31(46)30(45)27(18-53-35)55-56(50,51)52)9-8-22(24)15-25(43)32(47)40-12-10-21-11-13-42(17-21)36(38)39/h3-7,11,19,22-31,35,44-46H,8-10,12-18H2,1-2H3,(H3,38,39)(H,40,47)(H,41,48)(H,50,51,52)
InChIKey: HYNIADFDZGMLAA-UHFFFAOYSA-N
Reference
CAS: 1963001-83-3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Planktothrix sp. | Planktothrix | Microcoleaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 829.3700000000003
TPSA？: 277.86
MolLogP？: 0.2411700000000068
Number of H-Donors: 8
Number of H-Acceptors: 12
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|