Glycoside
...
GD082333

Name:
None

Formula:
C18H20O7N3F

Smiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1nccn(Cc2ccc(F)cc2)c1=O

Aglycone:
NC(=O)c1nccn(Cc2ccc(F)cc2)c1=O

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 5 FractionCSP3: 0.39
AlogP: -2.04 Num_rotatable_bonds: 5
MolWt: 409.37 Num_heavy_atoms: 29
TPSA: 154.14 NumAromaticRings: 2

Unique Aglycone
AD36987
Formula: C12H10O2N3F

Smiles:
NC(=O)c1nccn(Cc2ccc(F)cc2)c1=O
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.08
AlogP: 0.53 Num_rotatable_bonds: 3
MolWt: 247.23 Num_heavy_atoms: 18
TPSA: 77.98 NumAromaticRings: 2

Sugarmoiety
SD00003

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