Glycoside
...
GD104493

Name:
None

Formula:
C21H25O11NS

Smiles:
CC(=O)OC[C@@H]1O[C@H](SCc2ccc([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(CS)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: 0.52
AlogP: 1.91 Num_rotatable_bonds: 9
MolWt: 499.49 Num_heavy_atoms: 34
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
AD30182
Formula: C7H7O2NS

Smiles:
O=[N+]([O-])c1ccc(CS)cc1
HBA: 3 RingCount: 1
HBD: 0 FractionCSP3: 0.14
AlogP: 2.02 Num_rotatable_bonds: 2
MolWt: 169.21 Num_heavy_atoms: 11
TPSA: 43.14 NumAromaticRings: 1

Sugarmoiety
SD00012

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