isosilybin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 9
Total Number of Articles : 5
PubChem 131632597
Molecular Formula

C25H22O10

SMILES

COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=CC(=C3)C4[C@@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O

InChI

InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20?,23-,24?,25?/m1/s1

synonyms
  • Isosilybin
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Properties
Property Value
MW 482.4 g/mol
HBD 5
HBA 10
Rotatable Bond Count 4
Exact Mass 482.12129689 g/mol
Monoisotopic Mass 482.12129689 g/mol
Heavy Atom Count 35
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 750
xlogp 2.4
Topological Polar Surface Area 155