Glycoside
...
GD072261

Name:
None

Formula:
C13H19O9N2FS

Smiles:
Cc1cc(F)ncc1C(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
COS(O)(O)O.Cc1cc(F)ncc1C(N)=O

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 7 FractionCSP3: 0.54
AlogP: -0.78 Num_rotatable_bonds: 5
MolWt: 398.37 Num_heavy_atoms: 26
TPSA: 181.83 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
AD25588
Formula: C7H7ON2F

Smiles:
Cc1cc(F)ncc1C(N)=O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.14
AlogP: 0.63 Num_rotatable_bonds: 1
MolWt: 154.14 Num_heavy_atoms: 11
TPSA: 55.98 NumAromaticRings: 1

Sugarmoiety
SD00017

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