Glycoside
...
GD072221

Name:
None

Formula:
C13H20O10N2S

Smiles:
Cn1ccc(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc1=O

Aglycone:
COS(O)(O)O.Cn1ccc(C(N)=O)cc1=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.54
AlogP: -1.92 Num_rotatable_bonds: 5
MolWt: 396.37 Num_heavy_atoms: 26
TPSA: 190.94 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
AD26516
Formula: C7H8O2N2

Smiles:
Cn1ccc(C(N)=O)cc1=O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.14
AlogP: -0.52 Num_rotatable_bonds: 1
MolWt: 152.15 Num_heavy_atoms: 11
TPSA: 65.09 NumAromaticRings: 1

Sugarmoiety
SD00017

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