Glycoside
...
GD067341

Name:
None

Formula:
C13H25O8N2S

Smiles:
N#C[C@H]1CC[C@@H]([NH2+][C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC1

Aglycone:
COS(O)(O)O.N#CC1CCC([NH3+])CC1

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 8 FractionCSP3: 0.92
AlogP: -1.41 Num_rotatable_bonds: 5
MolWt: 369.42 Num_heavy_atoms: 24
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
AD25251
Formula: C7H13N2

Smiles:
N#CC1CCC([NH3+])CC1
HBA: 2 RingCount: 1
HBD: 3 FractionCSP3: 0.86
AlogP: 0.31 Num_rotatable_bonds: 0
MolWt: 125.2 Num_heavy_atoms: 9
TPSA: 51.43 NumAromaticRings: 0

Sugarmoiety
SD03900

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