BRYOSTATIN
[(1S,5Z,7R,8E,11S,12S,13E,15S,21R)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate
Molecular Identity
BRYOSTATIN
[(1S,5Z,7R,8E,11S,12S,13E,15S,21R)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate
PubChem CID: 6435419
2D Structure
Properties
C47H68O17
Molecular Formula
905.00
Molecular Weight
g/mol
904.4457
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
240
TPSA
May have limited oral absorption
4
H-Bond Donors
17
H-Bond Acceptors
1830
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(5)
BRYOSTATINRefChem:570434DTXSID201027013100629-51-4[(1S,5Z,7R,8E,11S,12S,13E,15S,21R)-25-acetyloxy-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] (2E,4E)-octa-2,4-dienoate
Data from PubChem (NCBI)
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