10-Hydroxyaloin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 14889735
Molecular Formula

C21H22O10

SMILES

C1=CC2=C(C(=C1)O)C(=O)C3=C(C2(C4C(C(C(C(O4)CO)O)O)O)O)C=C(C=C3O)CO

InChI

InChI=1S/C21H22O10/c22-6-8-4-10-15(12(25)5-8)17(27)14-9(2-1-3-11(14)24)21(10,30)20-19(29)18(28)16(26)13(7-23)31-20/h1-5,13,16,18-20,22-26,28-30H,6-7H2

synonyms
  • 10-Hydroxyaloin
  • AKOS040738743
  • NCGC00385447-01!1,8,10-trihydroxy-3-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-one
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Properties
Property Value
MW 434.4 g/mol
HBD 8
HBA 10
Rotatable Bond Count 3
Exact Mass 434.12129689 g/mol
Monoisotopic Mass 434.12129689 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 675
xlogp -1.2
Topological Polar Surface Area 188