Glycoside
...
GD008264

Name:
None

Formula:
C20H24O4N2S

Smiles:
O=C(NCCc1cccs1)[C@H](O)[C@H](O)C(=O)N1CCC[C@H]1c1ccccc1

Aglycone:
NCCc1cccs1.c1ccc(C2CCCN2)cc1

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

Other Identifiers

Properties
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.4
AlogP: 1.49 Num_rotatable_bonds: 7
MolWt: 388.49 Num_heavy_atoms: 27
TPSA: 89.87 NumAromaticRings: 2

Unique Aglycone
AD01164
Formula: C10H13N

Smiles:
c1ccc(C2CCCN2)cc1
HBA: 1 RingCount: 2
HBD: 1 FractionCSP3: 0.4
AlogP: 2.11 Num_rotatable_bonds: 1
MolWt: 147.22 Num_heavy_atoms: 11
TPSA: 12.03 NumAromaticRings: 1
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

Sugarmoiety
SD00169

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