Glycoside
...
GD002228

Name:
None

Formula:
C17H20O4N2S

Smiles:
O=C(NCc1ccccc1)[C@@H](O)[C@@H](O)C(=O)NCCc1cccs1

Aglycone:
NCCc1cccs1.NCc1ccccc1

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

Other Identifiers

Properties
HBA: 6 RingCount: 2
HBD: 4 FractionCSP3: 0.29
AlogP: 0.44 Num_rotatable_bonds: 8
MolWt: 348.42 Num_heavy_atoms: 24
TPSA: 98.66 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
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

Sugarmoiety
SD00169

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