Butikacin

CAS No.:59733-86-
Synonyms:
Butikacin 
Butikacine [INN-French]
Butikacinum [INN-Latin]
Butikacina [INN-Spanish]
Butikacin [USAN:BAN:INN]
UK 18892
UK-18,892
59733-86-7
D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1-4))-N(sup 1)-((S)-4-amino-2-hydroxybutyl)-2-deoxy-
D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1-4))-N1-(4-amino-2-hydroxybutyl)-2-deoxy-, (S)-
Properties Computed from Structure:
Molecular Weight 571.619 [g/mol] 
Molecular Formula C22H45N5O12 
XLogP -7 
H-Bond Donor 13 
H-Bond Acceptor 17 
Rotatable Bond Count 11 
Exact Mass 571.306472 
MonoIsotopic Mass 571.306472 
Topological Polar Surface Area 315 
Heavy Atom Count 39 
Formal Charge 0 
Complexity 748 
Isotope Atom Count 0 
Defined Atom StereoCenter Count 0 
Undefined Atom StereoCenter Count 16 
Defined Bond StereoCenter Count 0 
Undefined Bond StereoCenter Count 0 
Covalently-Bonded Unit Count 1 
Descriptors Computed from Structure:
IUPAC Name: 2-[6-amino-3-[4-amino-3,
5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(4-amino-2-hydroxybutyl)
amino]-2-hydroxycyclohexyl]oxy-6-(aminomethyl)oxane-3,4,5-triol
Canonical SMILES: C1C(C(C(C(C1NCC(CCN)O)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)O)O)N
InChI: InChI=1/C22H45N5O12/c23-2-1-7(29)5-27-9-3-8(25)19(38-22-17(34)16(33)14
(31)10(4-24)36-22)18(35)20(9)39-21-15(32)12(26)13(30)11(6-28)37-21/h7-
22,27-35H,1-6,23-26H2