Antibiotic JI-20A

CAS No.:51846-97-0
Synonyms: BRN 1668513;JI-20 A 
Mol File: 51846-97-0.mol 
Properties Computed from Structure:
Molecular Weight 481.54106 [g/mol] 
Molecular Formula C19H39N5O9 
XLogP -5.1 
H-Bond Donor 10 
H-Bond Acceptor 14 
Rotatable Bond Count 6 
Exact Mass 481.274778 
MonoIsotopic Mass 481.274778 
Topological Polar Surface Area 254 
Heavy Atom Count 33 
Formal Charge 0 
Complexity 653 
Isotope Atom Count 0 
Defined Atom StereoCenter Count 0 
Undefined Atom StereoCenter Count 14 
Defined Bond StereoCenter Count 0 
Undefined Bond StereoCenter Count 0 
Covalently-Bonded Unit Count 1
Descriptors Computed from Structure:
IUPAC Name: 2-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4,
5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-
methylaminooxane-3,5-diol
Canonical SMILES: CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CN)O)O)N)N)N)O
InChI: InChI=1/C19H39N5O9/c1-19(29)5-30-18(13(28)16(19)24-2)33-15-7(22)3-6(21)
14(12(15)27)32-17-9(23)11(26)10(25)8(4-20)31-17/h6-18,24-29H,3-5,
20-23H2,1-2H3