Glycoside
...
GD099115

Name:
None

Formula:
C16H20O10N4S

Smiles:
O=[N+]([O-])c1ccccc1-c1ccc(N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)nn1

Aglycone:
COS(O)(O)O.Nc1ccc(-c2ccccc2[N+](=O)[O-])nn1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 7 FractionCSP3: 0.38
AlogP: 0.43 Num_rotatable_bonds: 7
MolWt: 460.42 Num_heavy_atoms: 31
TPSA: 220.79 NumAromaticRings: 2

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD42191
Formula: C10H8O2N4

Smiles:
Nc1ccc(-c2ccccc2[N+](=O)[O-])nn1
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 1.63 Num_rotatable_bonds: 2
MolWt: 216.2 Num_heavy_atoms: 16
TPSA: 94.94 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O