CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](NCCCN)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](NCCCN)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

Molecular Processing

Molecular formula
C30H54N2O2
Molecular weight
474.77
Exact mass
474.4185
XLogP
5.42
TPSA
78.51
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
34
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.933
Molar refractivity
141.36

Supplementary Information

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