Glycoside
...
GD107646

Name:
None

Formula:
C24H22O10N2F4S

Smiles:
C[C@@](CS(=O)(=O)c1ccc(F)cc1)(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1

Aglycone:
CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 5 FractionCSP3: 0.38
AlogP: 0.8 Num_rotatable_bonds: 8
MolWt: 606.5 Num_heavy_atoms: 41
TPSA: 203.48 NumAromaticRings: 2

Unique Aglycone
AD44334
Formula: C18H14O4N2F4S

Smiles:
CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.22
AlogP: 2.88 Num_rotatable_bonds: 5
MolWt: 430.38 Num_heavy_atoms: 29
TPSA: 107.26 NumAromaticRings: 2

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O