Glycoside
...
GD087674

Name:
None

Formula:
C13H23O9N2F2ClS

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](NC(F)(F)C2CCN(O)C(Cl)C2)[C@H]1O

Aglycone:
COS(O)(O)O.NC(F)(F)C1CCN(O)C(Cl)C1

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 8 FractionCSP3: 1.0
AlogP: -0.2 Num_rotatable_bonds: 6
MolWt: 444.84 Num_heavy_atoms: 27
TPSA: 175.34 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
AD31664
Formula: C7H11ON2F2Cl

Smiles:
NC(F)(F)C1CCN(O)C(Cl)C1
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 1.0
AlogP: 1.2 Num_rotatable_bonds: 1
MolWt: 200.62 Num_heavy_atoms: 12
TPSA: 49.49 NumAromaticRings: 0

Sugarmoiety
SD00017

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