CC(C)[C@H](C)CC[C@@H](C)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](NCCc4c[nH]cn4)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
SMILES: CC(C)[C@H](C)CC[C@@H](C)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](NCCc4c[nH]cn4)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

Molecular Processing

Molecular formula
C33H57N3O3
Molecular weight
543.84
Exact mass
543.44
XLogP
5.48
TPSA
101.4
H-bond donors
5
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
39
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
11
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.909
Molar refractivity
156.01

Supplementary Information

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