Glycoside
...
GD011372

Name:
None

Formula:
C21H19O7N4ClS2

Smiles:
CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](Sc2nnc3sc(-c4ccc(Cl)cc4)nn23)[C@@H]1OC(C)=O

Aglycone:
Sc1nnc2sc(-c3ccc(Cl)cc3)nn12

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

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 0 FractionCSP3: 0.4
AlogP: 2.75 Num_rotatable_bonds: 6
MolWt: 526.98 Num_heavy_atoms: 34
TPSA: 131.21 NumAromaticRings: 3

Unique Aglycone
AD08701
Formula: C10H5N4ClS2

Smiles:
Sc1nnc2sc(-c3ccc(Cl)cc3)nn12
HBA: 4 RingCount: 3
HBD: 0 FractionCSP3: 0.0
AlogP: 2.79 Num_rotatable_bonds: 1
MolWt: 268.75 Num_heavy_atoms: 16
TPSA: 43.08 NumAromaticRings: 3

Sugarmoiety
SD00194

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