Glycoside
...
GD099181

Name:
None

Formula:
C20H22O8N4S

Smiles:
CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CO[C@@H]1N1C(=O)/C(=N/NC(N)=S)c2ccccc21

Aglycone:
NC(=S)NN=C1C(=O)Nc2ccccc21

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 3 FractionCSP3: 0.4
AlogP: -0.28 Num_rotatable_bonds: 5
MolWt: 478.48 Num_heavy_atoms: 33
TPSA: 158.85 NumAromaticRings: 1

Unique Aglycone
AD02232
Formula: C9H8ON4S

Smiles:
NC(=S)NN=C1C(=O)Nc2ccccc21
HBA: 5 RingCount: 2
HBD: 4 FractionCSP3: 0.0
AlogP: 0.18 Num_rotatable_bonds: 1
MolWt: 220.26 Num_heavy_atoms: 15
TPSA: 79.51 NumAromaticRings: 1

Sugarmoiety
SD00194

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