anguinomycin D

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 9854577
Molecular Formula

C32H48O4

SMILES

CC/C(=C/C(C)C/C=C/C(=C/C(C)C(=O)C(C)C(C(C)C/C(=C/C)/C)O)/C)/C=C/C1CC=CC(=O)O1

InChI

InChI=1S/C32H48O4/c1-9-22(3)19-25(6)31(34)27(8)32(35)26(7)20-23(4)13-11-14-24(5)21-28(10-2)17-18-29-15-12-16-30(33)36-29/h9,11-13,16-18,20-21,24-27,29,31,34H,10,14-15,19H2,1-8H3/b13-11+,18-17+,22-9+,23-20+,28-21-

synonyms
  • Anguinomycin D
  • 2-[(1E,3Z,7E,9E,17E)-3-Ethyl-14-hydroxy-5,9,11,13,15,17-hexamethyl-12-oxononadeca-1,3,7,9,17-pentaenyl]-2,3-dihydropyran-6-one
  • CHEBI:221963
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Properties
Property Value
MW 496.7 g/mol
HBD 1
HBA 4
Rotatable Bond Count 14
Exact Mass 496.35526001 g/mol
Monoisotopic Mass 496.35526001 g/mol
Heavy Atom Count 36
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 899
xlogp 8.6
Topological Polar Surface Area 63.6