Glycoside
...
GD079811

Name:
None

Formula:
C14H18O9N3FS

Smiles:
O=C(N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1cnc2cccc(F)n12

Aglycone:
COS(O)(O)O.NC(=O)c1cnc2cccc(F)n12

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.43
AlogP: -0.83 Num_rotatable_bonds: 5
MolWt: 423.38 Num_heavy_atoms: 28
TPSA: 186.24 NumAromaticRings: 2

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
AD27635
Formula: C8H6ON3F

Smiles:
NC(=O)c1cnc2cccc(F)n12
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.57 Num_rotatable_bonds: 1
MolWt: 179.15 Num_heavy_atoms: 13
TPSA: 60.39 NumAromaticRings: 2

Sugarmoiety
SD00017

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