2,6-didehydropeperomin B

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 3
Total Number of Articles : 1
PubChem 45267541
Molecular Formula

C23H24O8

SMILES

COC1=CC(=CC2=C1OCO2)[C@@H]([C@@H]3COC(=O)C3=C)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C23H24O8/c1-12-15(10-29-23(12)24)20(13-6-16(25-2)21(28-5)17(7-13)26-3)14-8-18(27-4)22-19(9-14)30-11-31-22/h6-9,15,20H,1,10-11H2,2-5H3/t15-,20+/m1/s1

synonyms
  • 2,6-didehydropeperomin B
  • CHEMBL559876
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Properties
Property Value
MW 428.4 g/mol
HBD 0
HBA 8
Rotatable Bond Count 7
Exact Mass 428.14711772 g/mol
Monoisotopic Mass 428.14711772 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 639
xlogp 3.7
Topological Polar Surface Area 81.7