Glycoside
...
GD102161

Name:
None

Formula:
C18H17O7N6Cl

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

Aglycone:
COC(C)=O.N#CNc1nc(Cl)nc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.47
AlogP: 0.7 Num_rotatable_bonds: 6
MolWt: 452.81 Num_heavy_atoms: 31
TPSA: 167.55 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
AD43234
Formula: C7H2N6Cl

Smiles:
N#CNc1nc(Cl)nc2c1N=C[N]2
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 0.93 Num_rotatable_bonds: 1
MolWt: 193.58 Num_heavy_atoms: 13
TPSA: 88.06 NumAromaticRings: 1

Sugarmoiety
SD00105

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