Penarolide sulfate A2
AlkaPlorer ID: AK029068
Synonym: ''
IUPAC Name: [(16S,17R,18S,28S,31S)-2,30-dioxo-28-propyl-16,17-disulfonatooxy-29-oxa-1-azabicyclo[29.3.0]tetratriacontan-18-yl] sulfate
Structure
SMILES: CCC[C@H]1CCCCCCCCC[C@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])CCCCCCCCCCCCCC(=O)N2CCC[C@H]2C(=O)O1
InChI: InChI=1S/C35H65NO15S3/c1-2-22-29-23-17-13-9-8-11-15-19-26-32(50-53(42,43)44)34(51-54(45,46)47)31(49-52(39,40)41)25-18-14-10-6-4-3-5-7-12-16-20-27-33(37)36-28-21-24-30(36)35(38)48-29/h29-32,34H,2-28H2,1H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)/p-3/t29-,30-,31-,32-,34+/m0/s1
InChIKey: IUNSVPIJQMFLKL-DLRNAMLRSA-K
Reference
PubChem CID: 21597355
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Penares | Geodiidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 833.0739999999992
TPSA？: 245.9
MolLogP？: 5.821300000000005
Number of H-Donors: 0
Number of H-Acceptors: 15
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|