Glycoside
...
GD009523

Name:
None

Formula:
C16H20O5N5FS

Smiles:
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](CSCCF)O[C@@H]1n1cnc2c(N)ncnc21

Aglycone:
CSCCF.Nc1ncnc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 2 FractionCSP3: 0.56
AlogP: 0.87 Num_rotatable_bonds: 7
MolWt: 413.43 Num_heavy_atoms: 28
TPSA: 131.45 NumAromaticRings: 2

Unique Aglycone
AD00058
Formula: C5H4N5

Smiles:
Nc1ncnc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: -0.03 Num_rotatable_bonds: 0
MolWt: 134.12 Num_heavy_atoms: 10
TPSA: 78.26 NumAromaticRings: 1
AD00854
Formula: C3H7FS

Smiles:
CSCCF
HBA: 0 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: 1.32 Num_rotatable_bonds: 2
MolWt: 94.15 Num_heavy_atoms: 5
TPSA: 0.0 NumAromaticRings: 0

Sugarmoiety
SD00105

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