Glycoside
...
GD073938

Name:
None

Formula:
C12H24O8NF2S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H]([NH2+]C2CCC(F)(F)CC2)[C@H]1O

Aglycone:
COS(O)(O)O.[NH3+]C1CCC(F)(F)CC1

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

Other Identifiers

Properties
HBA: 9 RingCount: 2
HBD: 8 FractionCSP3: 1.0
AlogP: -0.91 Num_rotatable_bonds: 5
MolWt: 380.39 Num_heavy_atoms: 24
TPSA: 156.45 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
AD34196
Formula: C6H12NF2

Smiles:
[NH3+]C1CCC(F)(F)CC1
HBA: 1 RingCount: 1
HBD: 3 FractionCSP3: 1.0
AlogP: 0.81 Num_rotatable_bonds: 0
MolWt: 136.16 Num_heavy_atoms: 9
TPSA: 27.64 NumAromaticRings: 0

Sugarmoiety
SD03900

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