demethyloleuropein

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 8
Total Number of Articles : 9
PubChem 6450302
Molecular Formula

C24H30O13

SMILES

C/C=C/1\[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)O)CC(=O)OCCC3=CC(=C(C=C3)O)O

InChI

InChI=1S/C24H30O13/c1-2-12-13(8-18(28)34-6-5-11-3-4-15(26)16(27)7-11)14(22(32)33)10-35-23(12)37-24-21(31)20(30)19(29)17(9-25)36-24/h2-4,7,10,13,17,19-21,23-27,29-31H,5-6,8-9H2,1H3,(H,32,33)/b12-2+/t13-,17+,19+,20-,21+,23-,24-/m0/s1

synonyms
  • Demethyloleuropein
  • Oleoeuropein acid
  • Demethyloleoeuropein
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Properties
Property Value
MW 526.5 g/mol
HBD 7
HBA 13
Rotatable Bond Count 10
Exact Mass 526.16864101 g/mol
Monoisotopic Mass 526.16864101 g/mol
Heavy Atom Count 37
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 858
xlogp -0.8
Topological Polar Surface Area 213