Nombre: Compound [ 18 ]
SMILES:
CC(=O)N[C@]1([C@@H]2O[C@@H](C)[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@@H](O)[C@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](CO)O[C@]1(O)c1cccs1Molecular Processing
Molecular formula
C58H67NO18S
Molecular weight
1098.23
Exact mass
1097.4079
XLogP
5.19
TPSA
242.53
H-bond donors
4
H-bond acceptors
19
Rotatable bonds
22
Heavy atoms
78
Rings
8
Aromatic rings
5
Saturated rings
3
Aliphatic rings
3
Stereo centers
15
Undefined stereo
0
Formal charge
0
Heteroatoms
20
Covalent units
1
Fraction Csp3
0.448
Molar refractivity
278.42
Supplementary Information
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