Glycoside
...
GD103072

Name:
None

Formula:
C20H22O8N5Cl

Smiles:
CC(=O)CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

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

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.53
AlogP: 0.8 Num_rotatable_bonds: 8
MolWt: 483.87 Num_heavy_atoms: 33
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
AD43612
Formula: C9H7ON5Cl

Smiles:
CC(=O)CNc1nc(Cl)nc2c1N=C[N]2
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.25
AlogP: 1.04 Num_rotatable_bonds: 3
MolWt: 224.63 Num_heavy_atoms: 15
TPSA: 81.34 NumAromaticRings: 1

Sugarmoiety
SD00105

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