Glycoside
...
GD025983

Name:
None

Formula:
C23H25O12N5S

Smiles:
CC(=O)OC[C@@H]1O[C@H](NC(=S)NN=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=S)NN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 17 RingCount: 3
HBD: 3 FractionCSP3: 0.43
AlogP: -0.2 Num_rotatable_bonds: 8
MolWt: 595.54 Num_heavy_atoms: 41
TPSA: 223.09 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD17166
Formula: C9H7O3N5S

Smiles:
NC(=S)NN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21
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
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O