Glycoside
...
GD057405

Name:
None

Formula:
C11H26O8NS

Smiles:
CCC[C@H](C)[NH2+][C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
CCCC(C)[NH3+].COS(O)(O)O

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

Other Identifiers

Properties
HBA: 9 RingCount: 1
HBD: 8 FractionCSP3: 1.0
AlogP: -1.3 Num_rotatable_bonds: 7
MolWt: 332.4 Num_heavy_atoms: 21
TPSA: 156.45 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
AD28784
Formula: C5H14N

Smiles:
CCCC(C)[NH3+]
HBA: 1 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.42 Num_rotatable_bonds: 2
MolWt: 88.17 Num_heavy_atoms: 6
TPSA: 27.64 NumAromaticRings: 0

Sugarmoiety
SD03900

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