Glycoside
...
GD011698

Name:
None

Formula:
C22H20O5N5ClS

Smiles:
O[C@@H]1[C@H](Cn2ncnn2)O[C@H](c2ccc(Cl)c(Cc3ncc(-c4ccco4)s3)c2)[C@H](O)[C@H]1O

Aglycone:
Clc1ccccc1Cc1ncc(-c2ccco2)s1.Cn1ncnn1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 5
HBD: 3 FractionCSP3: 0.33
AlogP: 1.86 Num_rotatable_bonds: 6
MolWt: 489.94 Num_heavy_atoms: 33
TPSA: 139.55 NumAromaticRings: 4

Unique Aglycone
AD02224
Formula: C15H10ONClS

Smiles:
Clc1ccccc1Cc1ncc(-c2ccco2)s1
HBA: 2 RingCount: 3
HBD: 0 FractionCSP3: 0.07
AlogP: 4.65 Num_rotatable_bonds: 3
MolWt: 275.76 Num_heavy_atoms: 18
TPSA: 26.03 NumAromaticRings: 3
AD08907
Formula: C2H4N4

Smiles:
Cn1ncnn1
HBA: 4 RingCount: 1
HBD: 0 FractionCSP3: 0.5
AlogP: -0.79 Num_rotatable_bonds: 0
MolWt: 84.08 Num_heavy_atoms: 6
TPSA: 43.6 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O