Deglycobleomycin

Base Information

• Chemical Name: Deglycobleomycin
• CAS No.: 78314-57-5
• Molecular Formula: C42H63 N19 O10 S2
• Molecular Weight: 1058.20092
• DSSTox Substance ID: DTXSID70228976
• Mol file: 78314-57-5.mol

Synonyms:deglyco-bleomycin;deglyco-bleomycin B2;deglycobleomycin;deglycobleomycin A2;deglycosylated BLM;deglycosylated-bleomycin

Chemical Property of Deglycobleomycin

Chemical Property:

• XLogP3: -6.2
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 29
• Exact Mass: 1057.44467163
• Heavy Atom Count: 73
• Complexity: 1900

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC3=NC(=CS3)C4=NC(=CS4)C(=O)NCCCCN=C(N)N)O
• Isomeric SMILES: CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC3=NC(=CS3)C4=NC(=CS4)C(=O)NCCCCN=C(N)N)O