Glycoside
...
GD021460

Name:
None

Formula:
C21H24O11N4S

Smiles:
CC(=O)O[C@H]1CO[C@@H](n2cc(COC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
NS(=O)(=O)c1ccc(C(=O)OCC2=C[N]N=N2)cc1

Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 2 FractionCSP3: 0.43
AlogP: -0.39 Num_rotatable_bonds: 8
MolWt: 540.51 Num_heavy_atoms: 37
TPSA: 205.3 NumAromaticRings: 2

Unique Aglycone
AD00701
Formula: C10H9O4N4S

Smiles:
NS(=O)(=O)c1ccc(C(=O)OCC2=C[N]N=N2)cc1
HBA: 8 RingCount: 2
HBD: 2 FractionCSP3: 0.1
AlogP: 0.32 Num_rotatable_bonds: 4
MolWt: 281.27 Num_heavy_atoms: 19
TPSA: 125.28 NumAromaticRings: 1

Sugarmoiety
SD00194

CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O