methyllycaconitine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 74
Total Number of Articles : 193
PubChem 171039738
Molecular Formula

C37H50N2O10

SMILES

CCN1C[C@@]2(CC[C@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)C[C@@H](C8=O)C

InChI

InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21+,22-,24-,25+,27+,28-,29+,30-,33-,34-,35+,36-,37+/m0/s1

synonyms
  • Methyllycaconitine
  • DTXSID80943320
  • 21019-30-7
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Properties
Property Value
MW 682.8 g/mol
HBD 2
HBA 11
Rotatable Bond Count 10
Exact Mass 682.34654580 g/mol
Monoisotopic Mass 682.34654580 g/mol
Heavy Atom Count 49
Isotope Atom Count 0
Atom Stereo Count 14
Covalent Unit Count 1
Complexity 1380
xlogp 1
Topological Polar Surface Area 144