COC(=O)NC(C(=O)N1C(C)CCC1C(=O)OCC(=O)c1ccc2c(c1)COc1cc3c(cc1-2)CCC(OC(=O)C1CC(C)CN1C(=O)OC(C)(C)C)C3=O)C(C)C
SMILES: COC(=O)NC(C(=O)N1C(C)CCC1C(=O)OCC(=O)c1ccc2c(c1)COc1cc3c(cc1-2)CCC(OC(=O)C1CC(C)CN1C(=O)OC(C)(C)C)C3=O)C(C)C

Molecular Processing

Molecular formula
C43H53N3O12
Molecular weight
803.91
Exact mass
803.3629
XLogP
5.42
TPSA
184.15
H-bond donors
1
H-bond acceptors
12
Rotatable bonds
9
Heavy atoms
58
Rings
6
Aromatic rings
2
Saturated rings
2
Aliphatic rings
4
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.558
Molar refractivity
208.04

Supplementary Information

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