Glycoside
...
GD014700

Name:
None

Formula:
C13H21O11NS

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

Aglycone:
COS(N)(=O)=O

Sugarmoiety:
COC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 1
HBD: 2 FractionCSP3: 0.77
AlogP: -1.63 Num_rotatable_bonds: 7
MolWt: 399.37 Num_heavy_atoms: 26
TPSA: 166.75 NumAromaticRings: 0

Unique Aglycone
AD00036
Formula: CH5O3NS

Smiles:
COS(N)(=O)=O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: -1.16 Num_rotatable_bonds: 1
MolWt: 111.12 Num_heavy_atoms: 6
TPSA: 69.39 NumAromaticRings: 0

Sugarmoiety
SD01266

COC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O