Glycoside
...
GD063852

Name:
None

Formula:
C13H30O9NS

Smiles:
CC(C)OCC[C@@H](C)[NH2+][C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
CC([NH3+])CCOC(C)C.COS(O)(O)O

Sugarmoiety:
OC1OC(O)C([OH2+])C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 1
HBD: 8 FractionCSP3: 1.0
AlogP: -1.28 Num_rotatable_bonds: 9
MolWt: 376.45 Num_heavy_atoms: 24
TPSA: 165.68 NumAromaticRings: 0

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD30716
Formula: C7H18ON

Smiles:
CC([NH3+])CCOC(C)C
HBA: 2 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.43 Num_rotatable_bonds: 4
MolWt: 132.23 Num_heavy_atoms: 9
TPSA: 36.87 NumAromaticRings: 0

Sugarmoiety
SD03900

OC1OC(O)C([OH2+])C(O)C1O