Glycoside
...
GD006449

Name:
None

Formula:
C18H22O7N5FS

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

Aglycone:
CSCCOC(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: 2 FractionCSP3: 0.56
AlogP: 0.6 Num_rotatable_bonds: 8
MolWt: 471.47 Num_heavy_atoms: 32
TPSA: 157.75 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
AD01540
Formula: C5H10O2S

Smiles:
CSCCOC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.8
AlogP: 0.91 Num_rotatable_bonds: 3
MolWt: 134.2 Num_heavy_atoms: 8
TPSA: 26.3 NumAromaticRings: 0

Sugarmoiety
SD00105

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