CCc1ccc(Cc2c(OC3OC(CO)C(O)C(O)C3O)nn(CC)c2C)cc1
SMILES: CCc1ccc(Cc2c(OC3OC(CO)C(O)C(O)C3O)nn(CC)c2C)cc1

Molecular Processing

Molecular formula
C21H30N2O6
Molecular weight
406.48
Exact mass
406.2104
XLogP
0.54
TPSA
117.2
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
105.66

Supplementary Information

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