Glycoside
...
GD024132

Name:
None

Formula:
C22H29O4N3S

Smiles:
CN(C)c1cccc(C2CCCN2C(=O)[C@H](O)[C@H](O)C(=O)NCCc2cccs2)c1

Aglycone:
CN(C)c1cccc(C2CCCN2)c1.NCCc1cccs1

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

Other Identifiers

Properties
HBA: 7 RingCount: 3
HBD: 3 FractionCSP3: 0.45
AlogP: 1.56 Num_rotatable_bonds: 8
MolWt: 431.56 Num_heavy_atoms: 30
TPSA: 93.11 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
AD16146
Formula: C12H18N2

Smiles:
CN(C)c1cccc(C2CCCN2)c1
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: 2.18 Num_rotatable_bonds: 2
MolWt: 190.29 Num_heavy_atoms: 14
TPSA: 15.27 NumAromaticRings: 1

Sugarmoiety
SD00169

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