SMILES:
COc1ccccc1CC(=O)C1NCC2C1C(c1ccccc1)(c1ccccc1)CC(O)C2(O)c1ccccc1OCMolecular Processing
Molecular formula
C36H37NO5
Molecular weight
563.69
Exact mass
563.2672
XLogP
4.66
TPSA
88.02
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
42
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.306
Molar refractivity
161.65
Supplementary Information
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