Dihydrobacillaene

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 44227768
Molecular Formula

C34H50N2O6

SMILES

CC(C)CC(C(=O)NCCC/C=C\C=C\C(=C\C=C/C=C(/C)\C(CC(=O)N/C(=C\C=C\C=C\C(C)C(=O)O)/C)O)\C)O

InChI

InChI=1S/C34H50N2O6/c1-25(2)23-31(38)33(40)35-22-16-9-7-8-11-17-26(3)18-14-15-19-27(4)30(37)24-32(39)36-29(6)21-13-10-12-20-28(5)34(41)42/h7-8,10-15,17-21,25,28,30-31,37-38H,9,16,22-24H2,1-6H3,(H,35,40)(H,36,39)(H,41,42)/b8-7-,13-10+,15-14-,17-11+,20-12+,26-18+,27-19-,29-21-

synonyms
  • Dihydrobacillaene
  • CHEMBL4469664
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Properties
Property Value
MW 582.8 g/mol
HBD 5
HBA 6
Rotatable Bond Count 19
Exact Mass 582.36688732 g/mol
Monoisotopic Mass 582.36688732 g/mol
Heavy Atom Count 42
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 1090
xlogp 6.2
Topological Polar Surface Area 136