Glycoside
...
GD081975

Name:
None

Formula:
C16H25O8NFS

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H]([NH2+][C@@H]2CCc3c(F)cccc3C2)[C@H]1O

Aglycone:
COS(O)(O)O.[NH3+]C1CCc2c(F)cccc2C1

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

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 8 FractionCSP3: 0.62
AlogP: -0.79 Num_rotatable_bonds: 5
MolWt: 410.44 Num_heavy_atoms: 27
TPSA: 156.45 NumAromaticRings: 1

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
AD29197
Formula: C10H13NF

Smiles:
[NH3+]C1CCc2c(F)cccc2C1
HBA: 1 RingCount: 2
HBD: 3 FractionCSP3: 0.4
AlogP: 0.92 Num_rotatable_bonds: 0
MolWt: 166.22 Num_heavy_atoms: 12
TPSA: 27.64 NumAromaticRings: 1

Sugarmoiety
SD03900

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