SMILES:
C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)C/C=C\[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1Molecular Processing
Molecular formula
C27H39NO6S
Molecular weight
505.68
Exact mass
505.2498
XLogP
4.25
TPSA
109.25
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
2
Heavy atoms
35
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
135.78
Supplementary Information
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