sab

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 48
Total Number of Articles : 50
PubChem 6450958
Molecular Formula

C47H75NO21S

SMILES

C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](CC2C(C(C[C@](O2)(CC(C(CCC(CC(CC(CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O.OS(=O)(=O)O

InChI

InChI=1S/C47H73NO17.H2O4S/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56;1-5(2,3)4/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60);(H2,1,2,3,4)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+;/t27-,28-,29-,30+,31?,32?,33?,34-,35?,36?,37?,38?,40?,41-,42+,43+,44-,46-,47+;/m0./s1

synonyms
  • Sulfated amphotericin B
  • Amphotericin B, sulfo deriv.
  • 123113-03-1
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Properties
Property Value
MW 1022.2 g/mol
HBD 14
HBA 22
Rotatable Bond Count 3
Exact Mass 1021.45522957 g/mol
Monoisotopic Mass 1021.45522957 g/mol
Heavy Atom Count 70
Isotope Atom Count 0
Atom Stereo Count 19
Covalent Unit Count 2
Complexity 1750
xlogp None
Topological Polar Surface Area 403