Glycoside
...
GD099126

Name:
None

Formula:
C19H30O9N3S

Smiles:
C[C@@H]1O[C@@H](OCC[NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)[C@@H](O)[C@H](O)[C@@H]1O

Aglycone:
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+]CCO)CC1

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 5 FractionCSP3: 0.68
AlogP: -1.84 Num_rotatable_bonds: 8
MolWt: 476.53 Num_heavy_atoms: 32
TPSA: 176.28 NumAromaticRings: 1

Unique Aglycone
AD42195
Formula: C13H20O5N3S

Smiles:
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH2+]CCO)CC1
HBA: 8 RingCount: 2
HBD: 3 FractionCSP3: 0.54
AlogP: -0.7 Num_rotatable_bonds: 6
MolWt: 330.39 Num_heavy_atoms: 22
TPSA: 117.36 NumAromaticRings: 1

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O