Glycoside
...
GD017083

Name:
None

Formula:
C25H25O4N2ClS2

Smiles:
O=C(NCc1ccc(Cc2ccsc2)s1)[C@H](O)[C@H](O)C(=O)N1CCC[C@H]1c1cccc(Cl)c1

Aglycone:
Clc1cccc(C2CCCN2)c1.NCc1ccc(Cc2ccsc2)s1

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

Other Identifiers

Properties
HBA: 6 RingCount: 4
HBD: 3 FractionCSP3: 0.33
AlogP: 3.76 Num_rotatable_bonds: 8
MolWt: 505.06 Num_heavy_atoms: 33
TPSA: 89.87 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
AD12238
Formula: C10H11NS2

Smiles:
NCc1ccc(Cc2ccsc2)s1
HBA: 1 RingCount: 2
HBD: 2 FractionCSP3: 0.2
AlogP: 2.86 Num_rotatable_bonds: 3
MolWt: 209.34 Num_heavy_atoms: 13
TPSA: 26.02 NumAromaticRings: 2

Sugarmoiety
SD00169

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