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Chemical structure of Validamycin A

GC45135

Validamycin A

Also known as (2R,3R,4S,5S,6R)-2-[(1R,2R,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Validamycin A is an antifungal agent used to protect rice plants against sheath blight caused by the pathogenic fungus, R

ChemicalCAS37248-47-8MW497.5FormulaC20H35NO13
CAS number
37248-47-8
Molecular weight
497.5
Formula
C20H35NO13
Solubility
DMSO： 2 mg/ml,PBS (pH 7·2)： 10 mg/ml
InChIKey
JARYYMUOCXVXNK-CSLFJTBJSA-N
Catalogue number
GC45135
Brand
GLPBIO
Computed properties PubChem CID 443629 · XLogP -6.3 · TPSA 253 Ų · H-bond donors 12
XLogP
-6.3
TPSA
253 Ų
H-bond donors
12
H-bond acceptors
14
Rotatable bonds
7
Heavy atoms
34

SMILES C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO

Computed descriptors from PubChem (CID 443629), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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