Glycoside
...
GD022365

Name:
None

Formula:
C21H23O4N2ClS

Smiles:
O=C(NCCc1cccs1)[C@H](O)[C@H](O)C(=O)N1CCCC1c1ccc(Cl)cc1

Aglycone:
Clc1ccc(C2CCCN2)cc1.NCCc1cccs1

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

Other Identifiers

Properties
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.4
AlogP: 2.15 Num_rotatable_bonds: 7
MolWt: 422.93 Num_heavy_atoms: 28
TPSA: 89.87 NumAromaticRings: 2

Unique Aglycone
AD02148
Formula: C6H9NS

Smiles:
NCCc1cccs1
HBA: 1 RingCount: 1
HBD: 2 FractionCSP3: 0.33
AlogP: 1.25 Num_rotatable_bonds: 2
MolWt: 127.21 Num_heavy_atoms: 8
TPSA: 26.02 NumAromaticRings: 1
AD15170
Formula: C11H12NCl

Smiles:
Clc1ccc(C2CCCN2)cc1
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