CCI

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 486
Total Number of Articles : 544
PubChem 448159
Molecular Formula

C38H63IN2O17S

SMILES

CC[NH2+][C@H]1CO[C@H](C[C@@H]1OC)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC)C)NO[C@H]3C[C@@H]([C@@H]([C@H](O3)C)SC(=O)C4=C(C(=C(C=C4C)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)OC)O)OC)OC)O)O.[I-]

InChI

InChI=1S/C38H62N2O17S.HI/c1-11-39-20-15-51-24(14-22(20)46-6)56-34-29(43)27(17(3)53-38(34)50-10)40-57-25-13-21(41)35(19(5)52-25)58-36(45)26-16(2)12-23(31(47-7)32(26)48-8)55-37-30(44)33(49-9)28(42)18(4)54-37;/h12,17-22,24-25,27-30,33-35,37-44H,11,13-15H2,1-10H3;1H/t17-,18+,19-,20+,21+,22+,24+,25+,27-,28+,29+,30-,33-,34-,35-,37+,38-;/m1./s1

synonyms
  • CCI
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Properties
Property Value
MW 978.9 g/mol
HBD 6
HBA 20
Rotatable Bond Count 17
Exact Mass 978.28922 g/mol
Monoisotopic Mass 978.28922 g/mol
Heavy Atom Count 59
Isotope Atom Count 0
Atom Stereo Count 17
Covalent Unit Count 2
Complexity 1270
xlogp None
Topological Polar Surface Area 263