C=CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(OC(=O)c4ccc([N+](=O)[O-])cc4)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC
SMILES: C=CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(OC(=O)c4ccc([N+](=O)[O-])cc4)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC

Molecular Processing

Molecular formula
C51H72N2O15
Molecular weight
953.14
Exact mass
952.4933
XLogP
6.41
TPSA
227.57
H-bond donors
2
H-bond acceptors
15
Rotatable bonds
10
Heavy atoms
68
Rings
5
Aromatic rings
1
Saturated rings
3
Aliphatic rings
4
Stereo centers
14
Undefined stereo
14
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
248.89

Supplementary Information

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