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Chemical structure of Dianemycin

GC35857

Dianemycin

Also known as (E)-8-[7-hydroxy-2-[2-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-9-(5-methoxy-6-methyloxan-2-yl)oxy-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid

Dianemycin (Nanchangmycin free acid), a polyether antibiotic produced by Streptomyces nanchangensis NS3226, inhibits gram-positive bacteria

ChemicalCAS35865-33-9MW867.11FormulaC47H78O14
CAS number
35865-33-9
Molecular weight
867.11
Formula
C47H78O14
Solubility
DMSO： 155 mg/mL (178·75 mM); Water： ＜ 0·1 mg/mL (insoluble)
InChIKey
FELYAZAWTURXNF-JJIBRWJFSA-N
Catalogue number
GC35857
Brand
GLPBIO
Computed properties PubChem CID 5475287 · XLogP 5.8 · TPSA 189 Ų · H-bond donors 4
XLogP
5.8
TPSA
189 Ų
H-bond donors
4
H-bond acceptors
14
Rotatable bonds
13
Heavy atoms
61

SMILES CC1CC(C(OC1C2CC(C3(O2)C(C(CC(O3)C4(CCC5(O4)CC(C(C(O5)C(C)/C=C(\C)/C(=O)C(C)CC(C)C(=O)O)C)O)C)OC6CCC(C(O6)C)OC)C)C)(CO)O)C

Computed descriptors from PubChem (CID 5475287), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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