Glycoside
...
GD031189

Name:
None

Formula:
C13H19O10NS

Smiles:
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)CO[C@@H]1S(=O)(=O)CC(N)=O

Aglycone:
NC(=O)C[S](=O)=O

Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 11 RingCount: 1
HBD: 2 FractionCSP3: 0.69
AlogP: -1.96 Num_rotatable_bonds: 6
MolWt: 381.36 Num_heavy_atoms: 25
TPSA: 165.36 NumAromaticRings: 0

Unique Aglycone
AD08123
Formula: C2H4O3NS

Smiles:
NC(=O)C[S](=O)=O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.5
AlogP: -1.65 Num_rotatable_bonds: 2
MolWt: 122.12 Num_heavy_atoms: 7
TPSA: 77.23 NumAromaticRings: 0

Sugarmoiety
SD00194

CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O