Glycoside
...
GD089179

Name:
None

Formula:
C17H19O9N2S

Smiles:
CC(=O)OC[C@@H]1O[C@@H]([n+]2c(O)cc(=O)n3ccsc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1cc(O)[nH+]c2sccn12

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 1 FractionCSP3: 0.47
AlogP: -0.32 Num_rotatable_bonds: 5
MolWt: 427.41 Num_heavy_atoms: 29
TPSA: 133.72 NumAromaticRings: 2

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
AD25445
Formula: C6H5O2N2S

Smiles:
O=c1cc(O)[nH+]c2sccn12
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: -0.12 Num_rotatable_bonds: 0
MolWt: 169.19 Num_heavy_atoms: 11
TPSA: 55.85 NumAromaticRings: 2

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O