Glycoside
...
GD016866

Name:
None

Formula:
C28H28O4N2Cl2S

Smiles:
O=C(NCc1cc(CC2C=CC=CC2Cl)cs1)[C@H](O)[C@H](O)C(=O)N1CCC[C@H]1c1cccc(Cl)c1

Aglycone:
Clc1cccc(C2CCCN2)c1.NCc1cc(CC2C=CC=CC2Cl)cs1

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

Other Identifiers

Properties
HBA: 6 RingCount: 4
HBD: 3 FractionCSP3: 0.38
AlogP: 4.0 Num_rotatable_bonds: 8
MolWt: 535.49 Num_heavy_atoms: 35
TPSA: 89.87 NumAromaticRings: 2

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
AD12092
Formula: C13H14NClS

Smiles:
NCc1cc(CC2C=CC=CC2Cl)cs1
HBA: 1 RingCount: 2
HBD: 2 FractionCSP3: 0.33
AlogP: 3.1 Num_rotatable_bonds: 3
MolWt: 239.77 Num_heavy_atoms: 15
TPSA: 26.02 NumAromaticRings: 1

Sugarmoiety
SD00169

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