glucoraphanin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 29
Total Number of Articles : 25
PubChem 73347633
Molecular Formula

C12H23NO10S3

SMILES

C[S@@](=O)CCCC/C(=N/OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

InChI

InChI=1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/b13-8-/t7-,9-,10+,11-,12+,25-/m1/s1

synonyms
  • Glucoraphanin
  • CHEMBL3350757
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Properties
Property Value
MW 437.5 g/mol
HBD 5
HBA 13
Rotatable Bond Count 10
Exact Mass 437.04840945 g/mol
Monoisotopic Mass 437.04840945 g/mol
Heavy Atom Count 26
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 593
xlogp -2.1
Topological Polar Surface Area 236