tylvalosin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 14
Total Number of Articles : 3
PubChem 6441094
Molecular Formula

C53H87NO19

SMILES

CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC

InChI

InChI=1S/C53H87NO19/c1-16-38-36(26-65-52-49(64-15)48(63-14)44(60)31(7)67-52)22-28(4)17-18-37(57)29(5)23-35(19-20-55)46(30(6)39(69-34(10)56)24-41(59)70-38)73-51-45(61)43(54(12)13)47(32(8)68-51)72-42-25-53(11,62)50(33(9)66-42)71-40(58)21-27(2)3/h17-18,20,22,27,29-33,35-36,38-39,42-52,60-62H,16,19,21,23-26H2,1-15H3/b18-17+,28-22+/t29-,30+,31-,32-,33+,35+,36-,38-,39-,42+,43-,44-,45-,46-,47-,48-,49-,50+,51+,52-,53-/m1/s1

synonyms
  • TYLVALOSIN
  • 63409-12-1
  • AIV-tylosin
Click to show/hide the synonyms
Properties
Property Value
MW 1042.3 g/mol
HBD 3
HBA 20
Rotatable Bond Count 19
Exact Mass 1041.58722955 g/mol
Monoisotopic Mass 1041.58722955 g/mol
Heavy Atom Count 73
Isotope Atom Count 0
Atom Stereo Count 21
Covalent Unit Count 1
Complexity 1860
xlogp 3.4
Topological Polar Surface Area 251