Glycoside
...
GD033707

Name:
None

Formula:
C21H28O9N2S2

Smiles:
Cc1cccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NS(C)(=O)=O)c1-c1cccc(NS(C)(=O)=O)c1

Aglycone:
CS(N)(=O)=O.Cc1cccc(O)c1-c1cccc(NS(C)(=O)=O)c1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 5 FractionCSP3: 0.43
AlogP: -0.23 Num_rotatable_bonds: 8
MolWt: 516.59 Num_heavy_atoms: 34
TPSA: 171.49 NumAromaticRings: 2

Unique Aglycone
AD05494
Formula: CH5O2NS

Smiles:
CS(N)(=O)=O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: -1.1 Num_rotatable_bonds: 0
MolWt: 95.12 Num_heavy_atoms: 5
TPSA: 60.16 NumAromaticRings: 0
AD19956
Formula: C14H15O3NS

Smiles:
Cc1cccc(O)c1-c1cccc(NS(C)(=O)=O)c1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.14
AlogP: 2.74 Num_rotatable_bonds: 3
MolWt: 277.35 Num_heavy_atoms: 19
TPSA: 66.4 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O