Glycoside
...
GD010480

Name:
None

Formula:
C22H28O4N2S

Smiles:
O=C(NCCc1cccs1)[C@H](O)[C@H](O)C(=O)N1CCC(Cc2ccccc2)CC1

Aglycone:
NCCc1cccs1.c1ccc(CC2CCNCC2)cc1

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

Other Identifiers

Properties
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.45
AlogP: 1.61 Num_rotatable_bonds: 8
MolWt: 416.54 Num_heavy_atoms: 29
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
AD08087
Formula: C12H17N

Smiles:
c1ccc(CC2CCNCC2)cc1
HBA: 1 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: 2.23 Num_rotatable_bonds: 2
MolWt: 175.27 Num_heavy_atoms: 13
TPSA: 12.03 NumAromaticRings: 1

Sugarmoiety
SD00169

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