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Chemical structure of Amycolatopsin A

GC48339

Amycolatopsin A

Also known as (3Z,5E,7E,11Z,13Z,15Z)-20-[(1R)-1-[(2S,3R,4R,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4R,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-2,4-dihydroxy-3-methoxy-6-(3-methoxypropyl)-5-methyloxan-2-yl]ethyl]-10-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxy-17-hydroxy-7-(hydroxymethyl)-5,18-dimethoxy-3,9,11,13,15-pentamethyl-1-oxacycloicosa-3,5,7,11,13,15-hexaen-2-one

A macrolide polyketide with antimycobacterial and anticancer activities

ChemicalCAS2209112-96-7MW1187.4FormulaC60H98O23
CAS number
2209112-96-7
Molecular weight
1187.4
Formula
C60H98O23
InChIKey
VGMCXRHEZZYRBZ-DZGTYMALSA-N
Catalogue number
GC48339
Brand
GLPBIO
Computed properties PubChem CID 156588930 · XLogP 0.7 · TPSA 319 Ų · H-bond donors 9
XLogP
0.7
TPSA
319 Ų
H-bond donors
9
H-bond acceptors
23
Rotatable bonds
17
Heavy atoms
83

SMILES C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@]2([C@H](O[C@]([C@@H]([C@H]2O)OC)([C@H](C)C3CC(C(/C=C(\C=C(/C=C(\C(C(/C=C(\C=C(/C=C(\C(=O)O3)/C)\OC)/CO)C)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C)OC)O)O)/C)\C)/C)O)OC)O)CCCOC)C)O)O[C@H]5C[C@@]([C@@H]([C@H](O5)C)O)(C)O

Computed descriptors from PubChem (CID 156588930), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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