Glycoside
...
GD104523

Name:
None

Formula:
C20H23O11NS

Smiles:
CC(=O)OC[C@@H]1O[C@@H](Sc2ccc([N+](=O)[O-])cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

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

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 0 FractionCSP3: 0.5
AlogP: 1.77 Num_rotatable_bonds: 8
MolWt: 485.47 Num_heavy_atoms: 33
TPSA: 157.57 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD11065
Formula: C6H5O2NS

Smiles:
O=[N+]([O-])c1ccc(S)cc1
HBA: 3 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 1.88 Num_rotatable_bonds: 1
MolWt: 155.18 Num_heavy_atoms: 10
TPSA: 43.14 NumAromaticRings: 1

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O