Glycoside
...
GD102802

Name:
None

Formula:
C22H26O7N5F

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N4C[C@@H]5[C@@H](CF)[C@@H]5C4)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.FCC1C2CN(c3ncnc4c3N=C[N]4)CC12

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 0 FractionCSP3: 0.64
AlogP: 0.8 Num_rotatable_bonds: 7
MolWt: 491.48 Num_heavy_atoms: 35
TPSA: 134.97 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD43516
Formula: C11H11N5F

Smiles:
FCC1C2CN(c3ncnc4c3N=C[N]4)CC12
HBA: 5 RingCount: 4
HBD: 0 FractionCSP3: 0.55
AlogP: 1.04 Num_rotatable_bonds: 2
MolWt: 232.24 Num_heavy_atoms: 17
TPSA: 55.48 NumAromaticRings: 1

Sugarmoiety
SD00105

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