CCCCCCCCCCCCCCCCCC(=O)OC(CCC(=O)O)COC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC(CCC(=O)O)COC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C

Molecular Processing

Molecular formula
C43H63NO8
Molecular weight
721.98
Exact mass
721.4554
XLogP
10.13
TPSA
128.23
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
27
Heavy atoms
52
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.628
Molar refractivity
204.09

Supplementary Information

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