Glycoside
...
GD100089

Name:
None

Formula:
C19H20O8N5Cl

Smiles:
CC(=O)Nc1nc(Cl)c2ncn([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c2n1

Aglycone:
CC(=O)Nc1nc(Cl)c2c(n1)[N]C=N2.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.5
AlogP: 0.76 Num_rotatable_bonds: 6
MolWt: 469.84 Num_heavy_atoms: 32
TPSA: 160.83 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
AD42329
Formula: C8H5ON5Cl

Smiles:
CC(=O)Nc1nc(Cl)c2c(n1)[N]C=N2
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.14
AlogP: 1.0 Num_rotatable_bonds: 1
MolWt: 210.6 Num_heavy_atoms: 14
TPSA: 81.34 NumAromaticRings: 1

Sugarmoiety
SD00105

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