Glycoside
...
GD104169

Name:
None

Formula:
C25H34O7NS

Smiles:
CCC[N@@H+](CCc1cccs1)[C@H]1CCc2c(cccc2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C1

Aglycone:
CCC[NH+](CCc1cccs1)C1CCc2c(O)cccc2C1

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 8 RingCount: 4
HBD: 5 FractionCSP3: 0.56
AlogP: 0.41 Num_rotatable_bonds: 9
MolWt: 492.61 Num_heavy_atoms: 34
TPSA: 120.89 NumAromaticRings: 2

Unique Aglycone
AD43971
Formula: C19H26ONS

Smiles:
CCC[NH+](CCc1cccs1)C1CCc2c(O)cccc2C1
HBA: 2 RingCount: 3
HBD: 2 FractionCSP3: 0.47
AlogP: 2.85 Num_rotatable_bonds: 6
MolWt: 316.49 Num_heavy_atoms: 22
TPSA: 24.67 NumAromaticRings: 2

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O