Glycoside
...
GD088867

Name:
None

Formula:
C13H19O12N3S

Smiles:
COC(=O)c1ccnc(N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c1[N+](=O)[O-]

Aglycone:
COC(=O)c1ccnc(N)c1[N+](=O)[O-].COS(O)(O)O

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

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 7 FractionCSP3: 0.54
AlogP: -0.85 Num_rotatable_bonds: 7
MolWt: 441.37 Num_heavy_atoms: 29
TPSA: 234.2 NumAromaticRings: 1

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
AD32062
Formula: C7H7O4N3

Smiles:
COC(=O)c1ccnc(N)c1[N+](=O)[O-]
HBA: 7 RingCount: 1
HBD: 2 FractionCSP3: 0.14
AlogP: 0.36 Num_rotatable_bonds: 2
MolWt: 197.15 Num_heavy_atoms: 14
TPSA: 108.35 NumAromaticRings: 1

Sugarmoiety
SD00017

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