GBX

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 14
Total Number of Articles : 5
PubChem 445495
Molecular Formula

C30H31N3O9S

SMILES

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4[C@@H]([C@H]([C@H]([C@@H]5O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C=C2

InChI

InChI=1S/C30H31N3O9S/c31-18(30(41)42)8-9-20(34)33-19(29(40)32-11-21(35)36)12-43-28-24-16-7-6-14-3-1-2-13-4-5-15(23(16)22(13)14)10-17(24)25(37)26(38)27(28)39/h1-7,10,18-19,25-28,37-39H,8-9,11-12,31H2,(H,32,40)(H,33,34)(H,35,36)(H,41,42)/t18-,19-,25+,26-,27-,28-/m0/s1

synonyms
  • GBX
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Properties
Property Value
MW 609.6 g/mol
HBD 8
HBA 11
Rotatable Bond Count 11
Exact Mass 609.17810075 g/mol
Monoisotopic Mass 609.17810075 g/mol
Heavy Atom Count 43
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 1060
xlogp -1.8
Topological Polar Surface Area 245