estriol glucuronide

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 152963
Molecular Formula

C24H32O9

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)OC5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O

InChI

InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23?,24+/m1/s1

synonyms
  • Estriol glucuronide
  • 28808-07-3
  • Oestriol glucuronide
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Properties
Property Value
MW 464.5 g/mol
HBD 6
HBA 9
Rotatable Bond Count 3
Exact Mass 464.20463259 g/mol
Monoisotopic Mass 464.20463259 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 11
Covalent Unit Count 1
Complexity 747
xlogp 0.9
Topological Polar Surface Area 157