BATRACHOTOXIN

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 30
Total Number of Articles : 23
PubChem 6324647
Molecular Formula

C31H42N2O6

SMILES

CC1=CNC(=C1C(=O)O[C@@H](C)C2=CC[C@@]34[C@@]2(C[C@H]([C@@]56C3=CC[C@H]7[C@@]5(CC[C@](C7)(O6)O)C)O)CN(CCO4)C)C

InChI

InChI=1S/C31H42N2O6/c1-18-16-32-19(2)25(18)26(35)38-20(3)22-8-9-30-23-7-6-21-14-29(36)11-10-27(21,4)31(23,39-29)24(34)15-28(22,30)17-33(5)12-13-37-30/h7-8,16,20-21,24,32,34,36H,6,9-15,17H2,1-5H3/t20-,21+,24+,27-,28-,29+,30-,31-/m0/s1

synonyms
  • BATRACHOTOXIN
  • UNII-TSG6XHX09R
  • 23509-16-2
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Properties
Property Value
MW 538.7 g/mol
HBD 3
HBA 7
Rotatable Bond Count 4
Exact Mass 538.30428706 g/mol
Monoisotopic Mass 538.30428706 g/mol
Heavy Atom Count 39
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 1140
xlogp 1.6
Topological Polar Surface Area 104