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Chemical structure of Kijanimicin

GC44004

Kijanimicin

Also known as methyl N-[(2R,3R,4S,6R)-6-[[(3R,6S,7E,9S,11Z,13S,16S,17S,18S,20S,21R,22S,23E)-17-[(2R,4R,5S,6S)-4-[(2S,4R,5S,6S)-4-[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-[(2R,4R,5R,6S)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-23-hydroxy-4-(hydroxymethyl)-3,8,12,18,20,22-hexamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy]-2,4-dimethyl-4-nitrooxan-3-yl]carbamate

Kijanimicin is an antibiotic first isolated from the fermentation broth of A

ChemicalCAS78798-08-0MW1317.5FormulaC67H100N2O24
CAS number
78798-08-0
Molecular weight
1317.5
Formula
C67H100N2O24
Solubility
DMF： soluble,DMSO： soluble,Ethanol： soluble,Methanol： soluble
InChIKey
LKSBZILVASNBPF-WPZATFCYSA-N
Catalogue number
GC44004
Brand
GLPBIO
Computed properties PubChem CID 54681518 · XLogP 4.8 · TPSA 350 Ų · H-bond donors 7
XLogP
4.8
TPSA
350 Ų
H-bond donors
7
H-bond acceptors
24
Rotatable bonds
14
Heavy atoms
93

SMILES C[C@H]1C[C@@H]([C@@H]([C@@H]2[C@@H]1[C@]\3([C@@H](C=C2)/C(=C\C[C@@H](/C(=C/[C@@H]4C=C([C@@H](CC45C(=O)/C(=C3\O)/C(=O)O5)C)CO)/C)O[C@H]6C[C@]([C@H]([C@H](O6)C)NC(=O)OC)(C)[N+](=O)[O-])/C)C)O[C@H]7C[C@H]([C@H]([C@@H](O7)C)O)O[C@H]8C[C@H]([C@H]([C@@H](O8)C)O[C@@H]9C[C@H]([C@H]([C@@H](O9)C)OC)O)O[C@H]1C[C@H]([C@H]([C@@H](O1)C)O)O)C

Computed descriptors from PubChem (CID 54681518), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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