COc1ccc2c(OC3CC4C(=O)NC5(C(=O)O)CC5C=CCCCCN(C)C(=O)C4C3)cc(-c3csc(C4CCCCC4)n3)nc2c1C
SMILES: COc1ccc2c(OC3CC4C(=O)NC5(C(=O)O)CC5C=CCCCCN(C)C(=O)C4C3)cc(-c3csc(C4CCCCC4)n3)nc2c1C

Molecular Processing

Molecular formula
C38H46N4O6S
Molecular weight
686.87
Exact mass
686.3138
XLogP
6.65
TPSA
130.95
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
49
Rings
7
Aromatic rings
3
Saturated rings
3
Aliphatic rings
4
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.553
Molar refractivity
187.84

Supplementary Information

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