Glycoside
...
GD008001

Name:
None

Formula:
C24H25O4N4ClS

Smiles:
O=C(NCc1ccc(Cn2ccnc2)s1)[C@H](O)[C@H](O)C(=O)N1CCC[C@H]1c1cccc(Cl)c1

Aglycone:
Clc1cccc(C2CCCN2)c1.NCc1ccc(Cn2ccnc2)s1

Sugarmoiety:
O=C(O)C(O)C(O)C(=O)O

Other Identifiers

Properties
HBA: 8 RingCount: 4
HBD: 3 FractionCSP3: 0.35
AlogP: 2.35 Num_rotatable_bonds: 8
MolWt: 489.0 Num_heavy_atoms: 33
TPSA: 107.69 NumAromaticRings: 3

Unique Aglycone
AD04593
Formula: C11H12NCl

Smiles:
Clc1cccc(C2CCCN2)c1
HBA: 1 RingCount: 2
HBD: 1 FractionCSP3: 0.4
AlogP: 2.76 Num_rotatable_bonds: 1
MolWt: 181.67 Num_heavy_atoms: 12
TPSA: 12.03 NumAromaticRings: 1
AD06446
Formula: C9H11N3S

Smiles:
NCc1ccc(Cn2ccnc2)s1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.22
AlogP: 1.45 Num_rotatable_bonds: 3
MolWt: 193.28 Num_heavy_atoms: 13
TPSA: 43.84 NumAromaticRings: 2

Sugarmoiety
SD00169

O=C(O)C(O)C(O)C(=O)O