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Chemical structure of Aurodox

GC40005

Aurodox

Also known as (2S)-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)-6-methyl-7-oxohepta-1,3,5-trienyl]oxolan-2-yl]-6-methoxy-5-methylocta-2,4-dienyl]-2-[(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]oxan-2-yl]butanamide

Aurodox is a polyketide antibiotic originally isolated from S

ChemicalCAS12704-90-4MW811FormulaC44H62N2O12
CAS number
12704-90-4
Molecular weight
811
Formula
C44H62N2O12
Solubility
1mg/mL in ethanol, also soluble in DMSO or methanol
InChIKey
NTAHMPNXQOYXSX-WKSONYIQSA-N
Catalogue number
GC40005
Brand
GLPBIO
Computed properties PubChem CID 135509117 · XLogP 4 · TPSA 216 Ų · H-bond donors 7
XLogP
4
TPSA
216 Ų
H-bond donors
7
H-bond acceptors
12
Rotatable bonds
17
Heavy atoms
58

SMILES CC[C@H](C(=O)NC/C=C/C=C(\C)/[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)/C=C/C=C/C=C(\C)/C(=O)C2=C(C=CN(C2=O)C)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)/C=C/C=C\C)(C)C)O)O)O

Computed descriptors from PubChem (CID 135509117), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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