Glycoside
...
GD094443

Name:
None

Formula:
C18H25O11NS

Smiles:
COC(=O)[C@@H]1C[C@H]1c1ccc(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc1

Aglycone:
COC(=O)C1CC1c1ccc(C(N)=O)cc1.COS(O)(O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.56
AlogP: -0.34 Num_rotatable_bonds: 7
MolWt: 463.46 Num_heavy_atoms: 31
TPSA: 195.24 NumAromaticRings: 1

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD34648
Formula: C12H13O3N

Smiles:
COC(=O)C1CC1c1ccc(C(N)=O)cc1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.33
AlogP: 1.06 Num_rotatable_bonds: 3
MolWt: 219.24 Num_heavy_atoms: 16
TPSA: 69.39 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O