Glycoside
...
GD088838

Name:
None

Formula:
C11H16O12N4S

Smiles:
O=[N+]([O-])c1cnc(N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1

Aglycone:
COS(O)(O)O.Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-]

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

Other Identifiers

Properties
HBA: 16 RingCount: 2
HBD: 7 FractionCSP3: 0.55
AlogP: -0.73 Num_rotatable_bonds: 7
MolWt: 428.33 Num_heavy_atoms: 28
TPSA: 251.04 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
AD29122
Formula: C5H4O4N4

Smiles:
Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-]
HBA: 8 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 0.48 Num_rotatable_bonds: 2
MolWt: 184.11 Num_heavy_atoms: 13
TPSA: 125.19 NumAromaticRings: 1

Sugarmoiety
SD00017

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