Common name
kasugamycin
Formula
C14H25N3O9
CAS
6980-18-3
IUPAC name
[5-amino-2-methyl-6-(2,3,4,5,6-pentahydroxycyclohexyloxy)tetrahydropyran-3-yl]amino-?-iminoacetic acid
SMILES
C[C@@H]1[C@H](C[C@@H]([C@H](O1)O[C@@H]1[C@@H]([C@H]([C@H]([C@@H]([C@@H]1O)O)O)O)O)N)N=C(C(=O)O)N
INCHI
InChI=1S/C14H25N3O9/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24)/t3-,4+,5+,6-,7+,8+,9-,10+,11-,14-/m1/s1
Physicochemical Properties
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Complexity of system:
Lipophilicity
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Water Solubility
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Geometric
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Electrostatic
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Flexibility
Num. Rot. bonds: 4
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AgroPAD
Photostability
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Topological
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Fungicide-likeness scores
The higher the score, the better the fungicide-likeness
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