Glycoside
...
GD086143

Name:
None

Formula:
C20H16O4N4Cl2

Smiles:
O[C@@H]([C@H](O)c1nc2cc(Cl)ccc2[nH]1)[C@H](O)[C@H](O)c1nc2ccc(Cl)cc2[nH]1

Aglycone:
Clc1ccc2[nH]cnc2c1.Clc1ccc2nc[nH]c2c1

Sugarmoiety:
OC(O)C(O)C(O)C(O)O

Other Identifiers

Properties
HBA: 8 RingCount: 4
HBD: 6 FractionCSP3: 0.22
AlogP: 2.23 Num_rotatable_bonds: 5
MolWt: 423.26 Num_heavy_atoms: 28
TPSA: 138.28 NumAromaticRings: 4

Unique Aglycone
AD00210
Formula: C8H5N2Cl

Smiles:
Clc1ccc2[nH]cnc2c1
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 2.22 Num_rotatable_bonds: 0
MolWt: 152.58 Num_heavy_atoms: 10
TPSA: 28.68 NumAromaticRings: 2
AD26830
Formula: C8H5N2Cl

Smiles:
Clc1ccc2nc[nH]c2c1
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 2.22 Num_rotatable_bonds: 0
MolWt: 152.58 Num_heavy_atoms: 10
TPSA: 28.68 NumAromaticRings: 2

Sugarmoiety
SD00875

OC(O)C(O)C(O)C(O)O