Glycoside
...
GD009637

Name:
None

Formula:
C21H24O11N4S

Smiles:
COC(=O)[C@@H]1O[C@H](n2nncc2-c2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
NS(=O)(=O)c1ccc(C2=CN=N[N]2)cc1

Sugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 2 FractionCSP3: 0.43
AlogP: -0.54 Num_rotatable_bonds: 7
MolWt: 540.51 Num_heavy_atoms: 37
TPSA: 205.3 NumAromaticRings: 2

Unique Aglycone
AD01535
Formula: C8H7O2N4S

Smiles:
NS(=O)(=O)c1ccc(C2=CN=N[N]2)cc1
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.62 Num_rotatable_bonds: 2
MolWt: 223.24 Num_heavy_atoms: 15
TPSA: 98.98 NumAromaticRings: 1

Sugarmoiety
SD00268

COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O