Glycoside
...
GD089274

Name:
None

Formula:
C16H22O8NF3S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](N[C@H]2CCc3cc(F)c(F)c(F)c3C2)[C@H]1O

Aglycone:
COS(O)(O)O.NC1CCc2cc(F)c(F)c(F)c2C1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 7 FractionCSP3: 0.62
AlogP: 0.51 Num_rotatable_bonds: 5
MolWt: 445.41 Num_heavy_atoms: 29
TPSA: 151.87 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
AD32263
Formula: C10H10NF3

Smiles:
NC1CCc2cc(F)c(F)c(F)c2C1
HBA: 1 RingCount: 2
HBD: 2 FractionCSP3: 0.4
AlogP: 1.92 Num_rotatable_bonds: 0
MolWt: 201.19 Num_heavy_atoms: 14
TPSA: 26.02 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O