Glycoside
...
GD099249

Name:
None

Formula:
C20H22O9N2S

Smiles:
COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)c1

Aglycone:
COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(O)cc2)c1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 5 FractionCSP3: 0.35
AlogP: -0.45 Num_rotatable_bonds: 7
MolWt: 466.47 Num_heavy_atoms: 32
TPSA: 178.57 NumAromaticRings: 2

Unique Aglycone
AD42221
Formula: C14H12O4N2S

Smiles:
COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(O)cc2)c1
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.07
AlogP: 2.07 Num_rotatable_bonds: 4
MolWt: 304.33 Num_heavy_atoms: 21
TPSA: 99.42 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O