Synonyms
Status
Molecule Category Free-form
UNII P40015Y3WW

Structure

InChI Key GBLRQXKSCRCLBZ-UHFFFAOYSA-N
Smiles COc1cc(CC2c3c(cc(OC)c(OC)c3OC)CC[N+]2(C)CCCOC(=O)CCC(=O)OCCC[N+]2(C)CCc3cc(OC)c(OC)c(OC)c3C2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChI
InChI=1S/C56H78N2O16/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6/h29-34,39-40H,15-28H2,1-14H3/q+2

Physicochemical Descriptors

Property Name Value
Molecular Formula C56H78N2O16+2
Molecular Weight 1035.24

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL1237123
DrugBank DB01135
DrugCentral 2974
FDA SRS P40015Y3WW
Human Metabolome Database HMDB0015266
KEGG C07549
PharmGKB PA164744927
SureChEMBL SCHEMBL10119676