Glycoside
...
GD106684

Name:
None

Formula:
C20H21O10N5S

Smiles:
CC(=O)O[C@@H]1[C@@H](N2C(=O)/C(=N\NC(N)=S)c3ccc([N+](=O)[O-])cc32)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
NC(=S)NN=C1C(=O)Nc2cc([N+](=O)[O-])ccc21

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

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 3 FractionCSP3: 0.4
AlogP: -0.37 Num_rotatable_bonds: 6
MolWt: 523.48 Num_heavy_atoms: 36
TPSA: 201.99 NumAromaticRings: 1

Unique Aglycone
AD03476
Formula: C9H7O3N5S

Smiles:
NC(=S)NN=C1C(=O)Nc2cc([N+](=O)[O-])ccc21
HBA: 8 RingCount: 2
HBD: 4 FractionCSP3: 0.0
AlogP: 0.08 Num_rotatable_bonds: 2
MolWt: 265.25 Num_heavy_atoms: 18
TPSA: 122.65 NumAromaticRings: 1

Sugarmoiety
SD00194

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