CC(=Cc1csc(C)n1)C1CC2C(CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1)N2CCO
이름: Compound G
SMILES: CC(=Cc1csc(C)n1)C1CC2C(CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1)N2CCO

Molecular Processing

Molecular formula
C28H44N2O6S
Molecular weight
536.74
Exact mass
536.292
XLogP
3.37
TPSA
119.96
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
37
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
8
Undefined stereo
8
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
143.96

Supplementary Information

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