Glycoside
...
GD067613

Name:
None

Formula:
C12H25O8N2S

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

Aglycone:
CC([NH3+])CCCC#N.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 10 RingCount: 1
HBD: 8 FractionCSP3: 0.92
AlogP: -1.41 Num_rotatable_bonds: 8
MolWt: 357.41 Num_heavy_atoms: 23
TPSA: 180.24 NumAromaticRings: 0

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
AD25248
Formula: C6H13N2

Smiles:
CC([NH3+])CCCC#N
HBA: 2 RingCount: 0
HBD: 3 FractionCSP3: 0.83
AlogP: 0.31 Num_rotatable_bonds: 3
MolWt: 113.18 Num_heavy_atoms: 8
TPSA: 51.43 NumAromaticRings: 0

Sugarmoiety
SD03900

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