Glycoside
...
GD008633

Name:
None

Formula:
C25H24O4N3ClS

Smiles:
O=C(NCc1ccc(-c2nccs2)cc1)[C@H](O)[C@H](O)C(=O)N1CCCC1c1cccc(Cl)c1

Aglycone:
Clc1cccc(C2CCCN2)c1.NCc1ccc(-c2nccs2)cc1

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

Other Identifiers

Properties
HBA: 7 RingCount: 4
HBD: 3 FractionCSP3: 0.29
AlogP: 3.17 Num_rotatable_bonds: 7
MolWt: 485.99 Num_heavy_atoms: 33
TPSA: 102.76 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
AD06871
Formula: C10H10N2S

Smiles:
NCc1ccc(-c2nccs2)cc1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.1
AlogP: 2.27 Num_rotatable_bonds: 2
MolWt: 190.27 Num_heavy_atoms: 13
TPSA: 38.91 NumAromaticRings: 2

Sugarmoiety
SD00169

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