Iridoids

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 15
Total Number of Articles : 12
PubChem 453214
Molecular Formula

C20H24O12

SMILES

COC(=O)C1=CO[C@H]([C@H]2[C@@H]1C=C[C@@]23C=C(C(=O)O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

InChI

InChI=1S/C20H24O12/c1-28-17(27)10-7-29-18(31-19-15(25)14(24)13(23)11(6-22)30-19)12-9(10)2-3-20(12)4-8(5-21)16(26)32-20/h2-4,7,9,11-15,18-19,21-25H,5-6H2,1H3/t9-,11-,12-,13-,14+,15-,18+,19+,20-/m1/s1

synonyms
  • Iridoid
  • 15-Demethyl plumieride
  • Iridoids
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Properties
Property Value
MW 456.4 g/mol
HBD 5
HBA 12
Rotatable Bond Count 6
Exact Mass 456.12677620 g/mol
Monoisotopic Mass 456.12677620 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 9
Covalent Unit Count 1
Complexity 865
xlogp -1.6
Topological Polar Surface Area 181