CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(N)C(OC(C)C)C3)C(C)C(O)CC1=O)C(C)CC2OC
SMILES: CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(N)C(OC(C)C)C3)C(C)C(O)CC1=O)C(C)CC2OC

Molecular Processing

Molecular formula
C45H74N2O11
Molecular weight
819.09
Exact mass
818.5293
XLogP
5.22
TPSA
184.15
H-bond donors
3
H-bond acceptors
12
Rotatable bonds
7
Heavy atoms
58
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
14
Undefined stereo
14
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.822
Molar refractivity
219.25

Supplementary Information

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