Glycoside
...
GD082852

Name:
None

Formula:
C16H25O8N2S

Smiles:
C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
CC([NH3+])Cc1cccc(C#N)c1.COS(O)(O)O

Sugarmoiety:
OC1OC(O)C([OH2+])C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 8 FractionCSP3: 0.56
AlogP: -0.98 Num_rotatable_bonds: 7
MolWt: 405.45 Num_heavy_atoms: 27
TPSA: 180.24 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
AD26687
Formula: C10H13N2

Smiles:
CC([NH3+])Cc1cccc(C#N)c1
HBA: 2 RingCount: 1
HBD: 3 FractionCSP3: 0.3
AlogP: 0.73 Num_rotatable_bonds: 2
MolWt: 161.23 Num_heavy_atoms: 12
TPSA: 51.43 NumAromaticRings: 1

Sugarmoiety
SD03900

OC1OC(O)C([OH2+])C(O)C1O