Glycoside
...
GD105063

Name:
None

Formula:
C20H21O9NS

Smiles:
CO[C@H]1C[C@@H](OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccccc2)[C@@H](C)O1

Aglycone:
O=C(O)c1ccccc1.O=[N+]([O-])c1ccc(S(=O)(=O)O)cc1

Sugarmoiety:
COC1CC(O)C(O)C(C)O1

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 0 FractionCSP3: 0.35
AlogP: 2.68 Num_rotatable_bonds: 7
MolWt: 451.45 Num_heavy_atoms: 31
TPSA: 131.27 NumAromaticRings: 2

Unique Aglycone
AD00002
Formula: C7H6O2

Smiles:
O=C(O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.38 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 1
AD03914
Formula: C6H5O5NS

Smiles:
O=[N+]([O-])c1ccc(S(=O)(=O)O)cc1
HBA: 6 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 0.84 Num_rotatable_bonds: 2
MolWt: 203.17 Num_heavy_atoms: 13
TPSA: 97.51 NumAromaticRings: 1

Sugarmoiety
SD00510

COC1CC(O)C(O)C(C)O1