Glycoside
...
GD103699

Name:
None

Formula:
C21H23O11NS

Smiles:
CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1OS(=O)(=O)c1ccc(C)cc1

Aglycone:
Cc1ccc(S(=O)(=O)O)cc1.O=C(O)c1ccc([N+](=O)[O-])cc1

Sugarmoiety:
COC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.38
AlogP: 0.93 Num_rotatable_bonds: 8
MolWt: 497.48 Num_heavy_atoms: 34
TPSA: 171.73 NumAromaticRings: 2

Unique Aglycone
AD00419
Formula: C7H8O3S

Smiles:
Cc1ccc(S(=O)(=O)O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.24 Num_rotatable_bonds: 1
MolWt: 172.21 Num_heavy_atoms: 11
TPSA: 54.37 NumAromaticRings: 1
AD04460
Formula: C7H5O4N

Smiles:
O=C(O)c1ccc([N+](=O)[O-])cc1
HBA: 5 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.29 Num_rotatable_bonds: 2
MolWt: 167.12 Num_heavy_atoms: 12
TPSA: 80.44 NumAromaticRings: 1

Sugarmoiety
SD00102

COC1OC(CO)C(O)C(O)C1O