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Chemical structure of Benanomicin A

GC49038

Benanomicin A

Also known as (2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid

A microbial metabolite with antifungal, fungicidal, and antiviral activities

ChemicalCAS116249-65-1MW827.7FormulaC39H41NO19
CAS number
116249-65-1
Molecular weight
827.7
Formula
C39H41NO19
Solubility
Ethanol： soluble
InChIKey
GOYUMGXIFMGKFN-NUVDETJMSA-N
Catalogue number
GC49038
Brand
GLPBIO
Computed properties PubChem CID 5464367 · XLogP 0.1 · TPSA 329 Ų · H-bond donors 11
XLogP
0.1
TPSA
329 Ų
H-bond donors
11
H-bond acceptors
19
Rotatable bonds
8
Heavy atoms
59

SMILES C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)N[C@H](C)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O

Computed descriptors from PubChem (CID 5464367), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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