Glycoside
...
GD023419

Name:
None

Formula:
C19H22O4N2S

Smiles:
O=C(NCCc1cccs1)[C@H](O)[C@H](O)C(=O)N1CCc2ccccc2C1

Aglycone:
NCCc1cccs1.c1ccc2c(c1)CCNC2

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

Other Identifiers

Properties
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.37
AlogP: 0.71 Num_rotatable_bonds: 6
MolWt: 374.46 Num_heavy_atoms: 26
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
AD15752
Formula: C9H11N

Smiles:
c1ccc2c(c1)CCNC2
HBA: 1 RingCount: 2
HBD: 1 FractionCSP3: 0.33
AlogP: 1.33 Num_rotatable_bonds: 0
MolWt: 133.19 Num_heavy_atoms: 10
TPSA: 12.03 NumAromaticRings: 1

Sugarmoiety
SD00169

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