Glycoside
...
GD007716

Name:
None

Formula:
C22H23O4N2Cl

Smiles:
O=C(NCc1ccccc1)[C@H](O)[C@H](O)C(=O)N1CCCC1c1cccc(Cl)c1

Aglycone:
Clc1cccc(C2CCCN2)c1.NCc1ccccc1

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

Other Identifiers

Properties
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.33
AlogP: 2.04 Num_rotatable_bonds: 6
MolWt: 402.88 Num_heavy_atoms: 28
TPSA: 89.87 NumAromaticRings: 2

Unique Aglycone
AD02149
Formula: C7H9N

Smiles:
NCc1ccccc1
HBA: 1 RingCount: 1
HBD: 2 FractionCSP3: 0.14
AlogP: 1.15 Num_rotatable_bonds: 1
MolWt: 107.16 Num_heavy_atoms: 8
TPSA: 26.02 NumAromaticRings: 1
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

Sugarmoiety
SD00169

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