Glycoside
...
GD100255

Name:
None

Formula:
C21H28O9N2S

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N[C@H]2CCc3ncsc3C2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NC1CCc2ncsc2C1

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 1 FractionCSP3: 0.67
AlogP: 0.67 Num_rotatable_bonds: 7
MolWt: 484.53 Num_heavy_atoms: 33
TPSA: 139.35 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD25507
Formula: C7H10N2S

Smiles:
NC1CCc2ncsc2C1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.57
AlogP: 0.96 Num_rotatable_bonds: 0
MolWt: 154.24 Num_heavy_atoms: 10
TPSA: 38.91 NumAromaticRings: 1

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O