SMILES:
CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CCC2C(=O)CSCc1ccccc1Molecular Processing
Molecular formula
C28H38O3S
Molecular weight
454.68
Exact mass
454.2542
XLogP
5.69
TPSA
54.37
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
32
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
8
Undefined stereo
8
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
129.22
Supplementary Information
Details werden geladen…
An 1 Reaktionen beteiligt→