Glycoside
...
GD012841

Name:
None

Formula:
C22H25O11N4S2I

Smiles:
COC(=O)[C@@H]1O[C@H](SCc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2I)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
NS(=O)(=O)c1ccc(-n2nnc(CS)c2I)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: 0.45
AlogP: 0.45 Num_rotatable_bonds: 9
MolWt: 712.5 Num_heavy_atoms: 40
TPSA: 205.3 NumAromaticRings: 2

Unique Aglycone
AD09644
Formula: C9H9O2N4S2I

Smiles:
NS(=O)(=O)c1ccc(-n2nnc(CS)c2I)cc1
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.11
AlogP: 0.95 Num_rotatable_bonds: 3
MolWt: 396.24 Num_heavy_atoms: 18
TPSA: 90.87 NumAromaticRings: 2

Sugarmoiety
SD00268

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