Fungimycin

(23E,25E,27E,29E,31E,33E,35E,37Z)-22-[(3S,4S,5S,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,6,8,10,12,18,20-heptahydroxy-38-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-19,37-dimethyl-1-oxacyclooctatriaconta-23,25,27,29,31,33,35,37-octaene-2,14,16-trione

Also Known As: Fungimycin|Aminomycin|Perimycin|Fungimycin [USAN]|Antibiotic 1968|Antibiotic NC-1968|ANTIBIOTIC NC 1968|NC 1968|NC-1968|WX 2412|EINECS 234-247-2|WX-2412|(23E,25E,27E,29E,31E,33E,35E,37Z)-22-[(3S,4S,5S,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,6,8,10,12,18,20-heptahydroxy-38-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-19,37-dimethyl-1-oxacyclooctatriaconta-23,25,27,29,31,33,35,37-octaene-2,14,16-trione|(23e,25e,27e,29e,31e,33e,35e,37z)-22-[(3s,4s,5s,6r)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,6,8,10,12,18,20-heptahydroxy-38-[5-hydroxy-7-(4-methylaminophenyl)-7-oxoheptan-2-yl]-19,37-dimethyl-1-oxacyclooctatriaconta-23,25,27,29,31,33,35,37-octaene-2,14,16-trione|234-247-2

Molecular Formula	C59H86N2O17
Molecular Weight	1094.5927 g/mol
LogP	3.7931
Topological Polar Surface Area	336.32 Ų
Hydrogen Bond Donors	12
Hydrogen Bond Acceptors	19
Rotatable Bonds	10
Exact Mass	1094.5927
Monoisotopic Mass	1094.5927
Heavy Atoms	78
Complexity	2255.0107

Chemical Identifiers

CAS Number	11016-07-2
SMILES	C[C@@H]1[C@H]([C@@H]([C@@H](C(O1)OC/2CC(C(C(CC(=O)CC(=O)CC(CC(CC(CC(CC(CC(=O)O/C(=C(\C=C\C=C\C=C\C=C\C=C\C=C\C=C2)/C)/C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)C)O)O)O)N