CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(Oc4ccccc4)C(OC)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(Oc4ccccc4)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC

Molecular Processing

Molecular formula
C49H73NO12
Molecular weight
868.12
Exact mass
867.5133
XLogP
6.56
TPSA
167.36
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
8
Heavy atoms
62
Rings
5
Aromatic rings
1
Saturated rings
3
Aliphatic rings
4
Stereo centers
14
Undefined stereo
14
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
232.92

Supplementary Information

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