Glycoside
...
GD009473

Name:
None

Formula:
C22H23O9N4Cl

Smiles:
COC(=O)c1nc(Nc2cccc(Cl)c2)nn1[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(=O)C1=NC(Nc2cccc(Cl)c2)=N[N]1.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.43
AlogP: 1.79 Num_rotatable_bonds: 8
MolWt: 510.89 Num_heavy_atoms: 35
TPSA: 157.17 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
AD07421
Formula: C11H8O2N4Cl

Smiles:
COC(=O)C1=NC(Nc2cccc(Cl)c2)=N[N]1
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.1
AlogP: 1.21 Num_rotatable_bonds: 2
MolWt: 251.65 Num_heavy_atoms: 17
TPSA: 77.15 NumAromaticRings: 1

Sugarmoiety
SD00105

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