Bristol A-649

HCID 412232

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Basic information

CAS: 102647-16-5
Standard SMILES: COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC(C)=O)C(OC5CC(O)C(OC)C(C)O5)C(C)O4)cc(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(C)(O)C(OC(=O)C(C)C)C(C)O3)C(O)C(C)O2)C(O)C(C)O1
InChIKey: WURKLEUBADSHTC-UHFFFAOYSA-N
Molecular formula: C58H84O26
Average molar mass: 1,197.3 g/mol
Monoisotopic mass: 1,196.52508278

Names & identifiers

Preferred name: Bristol A-649
IUPAC: [6-[6-[6-[[6-[4-acetyloxy-5-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-8,9-dihydroxy-1-oxo-3,4-dihydro-2H-anthracen-2-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]oxy-3-hydroxy-2-methyloxan-4-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2-methylpropanoate

Names & synonyms

Bristol A-649OlivomitsinBristol A649Antibiotic from StreptomyceteActinomyces olivoreticuli, Strain No. 16749C 1228NSC38270Olivomycin D,6-dideoxy-3-C-methyl-4-O-(2-methyl-1-oxopropyl)-.alpha.-L-arabino-hexopyranosyl]-Neuro_000019CHEMBL386415SCHEMBL30883023[6-[6-[6-[[6-[4-acetyloxy-5-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-8,9-dihydroxy-1-oxo-3,4-dihydro-2H-anthracen-2-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]oxy-3-hydroxy-2-methyloxan-4-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2-methylpropanoate

Database identifiers

CAS: 102647-16-5
PubChem CID: 412232
ChEMBL: CHEMBL386415

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 359 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 26
Rotatable bonds: 21
Heavy atoms: 84
Formal charge: 0
Complexity: 2,210

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