Structure

InChI Key ILVYCEVXHALBSC-OTBYEXOQSA-N
Smiles COc1cc2c(cc1OC)[C@@H](Cc1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2
InChI
InChI=1S/C58H80N2O14/c1-59(25-21-41-35-47(63-3)49(65-5)37-43(41)45(59)29-39-31-51(67-7)57(71-11)52(32-39)68-8)23-17-27-73-55(61)19-15-13-14-16-20-56(62)74-28-18-24-60(2)26-22-42-36-48(64-4)50(66-6)38-44(42)46(60)30-40-33-53(69-9)58(72-12)54(34-40)70-10/h13-14,31-38,45-46H,15-30H2,1-12H3/q+2/b14-13+/t45-,46-,59?,60?/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C58H80N2O14+2
Molecular Weight 1029.28

Related Entries

Cross References

Resources Reference
CAS NUMBER 133814-19-4
ChEBI 6958
ChEMBL CHEMBL1182833
DrugBank DB01226
DrugCentral 1822
FDA SRS 77D66S9Q93
Human Metabolome Database HMDB0015357
Guide to Pharmacology 7243
KEGG C07550
PharmGKB PA450528
PubChem 5281042
SureChEMBL SCHEMBL10014476
ZINC ZINC000150338702