Glycoside
...
GD031033

Name:
None

Formula:
C16H19O6N6F

Smiles:
CC(=O)NC[C@@H]1O[C@H](n2cnc3c(N)nc(F)nc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CNC(C)=O.Nc1nc(F)nc2c1N=C[N]2

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 3 FractionCSP3: 0.5
AlogP: -0.56 Num_rotatable_bonds: 5
MolWt: 410.36 Num_heavy_atoms: 29
TPSA: 160.55 NumAromaticRings: 2

Unique Aglycone
AD00084
Formula: C5H3N5F

Smiles:
Nc1nc(F)nc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.11 Num_rotatable_bonds: 0
MolWt: 152.11 Num_heavy_atoms: 11
TPSA: 78.26 NumAromaticRings: 1
AD01019
Formula: C3H7ON

Smiles:
CNC(C)=O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: -0.25 Num_rotatable_bonds: 0
MolWt: 73.09 Num_heavy_atoms: 5
TPSA: 29.1 NumAromaticRings: 0

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O