A-649

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Basic information

CAS: 102647-16-5
Standard SMILES: CO[C@@H]1[C@H](O)C[C@@H](O[C@H]2[C@@H](C)O[C@@H](Oc3cc(O)c4c(O)c5c(cc4c3)C[C@@H]([C@H](OC)C(=O)[C@@H](O)[C@@H](C)O)[C@H](O[C@H]3C[C@@H](O[C@H]4C[C@@H](O[C@H]6C[C@](C)(O)[C@@H](OC(=O)C(C)C)[C@H](C)O6)[C@H](O)[C@@H](C)O4)[C@H](O)[C@@H](C)O3)C5=O)C[C@H]2OC(C)=O)O[C@@H]1C
InChIKey: WURKLEUBADSHTC-AJVJTBPOSA-N
Molecular formula: C58H84O26
Average molar mass: 1,197.3 g/mol
Monoisotopic mass: 1,196.52508278

Names & identifiers

Preferred name: A-649
IUPAC: [(2S,3S,4S,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[[(2S,3S)-6-[(2S,4R,5S,6R)-4-acetyloxy-5-[(2R,4R,5R,6R)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-[(1S,3S,4R)-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

Antibiotic A-649102647-16-5Antibiotic A-649-22A-649UNII-I00H3G1Y5MI00H3G1Y5MA 64922NSC 38270C-1228NSC-38270Olivomycin D, 3(sup B)-O-(2',6-dideoxy-3-C-methyl-4-O-(2-methyl-1-oxopropyl)-alpha-L-arabino-hexopyranosyl)-RefChem:199301

Show more names

NSC38270Antibiotic A 649Q27280177

Database identifiers

CAS: 102647-16-5
PubChem CID: 462379
UNII: I00H3G1Y5M

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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Compound notes

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