Glycoside
...
GD092187

Name:
None

Formula:
C15H19O10N3S

Smiles:
O=[N+]([O-])c1cccc2nc(N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)ccc12

Aglycone:
COS(O)(O)O.Nc1ccc2c([N+](=O)[O-])cccc2n1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.4
AlogP: 0.52 Num_rotatable_bonds: 6
MolWt: 433.4 Num_heavy_atoms: 29
TPSA: 207.9 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
AD33085
Formula: C9H7O2N3

Smiles:
Nc1ccc2c([N+](=O)[O-])cccc2n1
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 1.73 Num_rotatable_bonds: 1
MolWt: 189.17 Num_heavy_atoms: 14
TPSA: 82.05 NumAromaticRings: 2

Sugarmoiety
SD00017

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