PM54
[(1R,2R,3R,11S,12S,14R,26R)-5,12-dihydroxy-3'-(hydroxymethyl)-6-methoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine]-22-yl] acetate
Molecular Identity
PM54
[(1R,2R,3R,11S,12S,14R,26R)-5,12-dihydroxy-3'-(hydroxymethyl)-6-methoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-[1]benzofuro[2,3-c]pyridine]-22-yl] acetate
PubChem CID: 171391835
2D Structure
Properties
C41H43N3O11S
Molecular Formula
785.90
Molecular Weight
g/mol
785.2618
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
198
TPSA
May have limited oral absorption
4
H-Bond Donors
15
H-Bond Acceptors
1530
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(4)
PM54RFAHKSOPHUEQBC-XORLFLDASA-NHY-161422CS-1048531
Data from PubChem (NCBI)
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Drug Network
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