Name: neocarzinostatin
SMILES:
CN[C@H]1[C@@H](O[C@@H]2/C3=C/C#C[C@H]4O[C@@]4([C@H]4COC(=O)O4)C#CC3=C[C@H]2OC(=O)c2cccc3c(C)cc(OC)cc23)O[C@H](C)[C@H](O)[C@@H]1OMolecular Processing
Molecular formula
C35H33NO11
Molecular weight
643.65
Exact mass
643.2054
XLogP
1.68
TPSA
154.54
H-bond donors
3
H-bond acceptors
12
Rotatable bonds
7
Heavy atoms
47
Rings
7
Aromatic rings
2
Saturated rings
3
Aliphatic rings
5
Stereo centers
10
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
164.05
Supplementary Information
Details werden geladen…
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