Glycoside
...
GD090727

Name:
None

Formula:
C18H20O6N3FS

Smiles:
O=C(Cc1ncc(F)cn1)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1

Aglycone:
O=C(Cc1ncc(F)cn1)Nc1ccc(S)cc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 5 FractionCSP3: 0.39
AlogP: -0.31 Num_rotatable_bonds: 6
MolWt: 425.44 Num_heavy_atoms: 29
TPSA: 145.03 NumAromaticRings: 2

Unique Aglycone
AD39493
Formula: C12H10ON3FS

Smiles:
O=C(Cc1ncc(F)cn1)Nc1ccc(S)cc1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.08
AlogP: 2.09 Num_rotatable_bonds: 3
MolWt: 263.3 Num_heavy_atoms: 18
TPSA: 54.88 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O