Glycoside
...
GD081078

Name:
None

Formula:
C15H30O10NS

Smiles:
CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)C1

Aglycone:
CCOC(=O)C1CCCC([NH3+])C1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 8 FractionCSP3: 0.93
AlogP: -1.37 Num_rotatable_bonds: 7
MolWt: 416.47 Num_heavy_atoms: 27
TPSA: 182.75 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
AD29079
Formula: C9H18O2N

Smiles:
CCOC(=O)C1CCCC([NH3+])C1
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 0.89
AlogP: 0.35 Num_rotatable_bonds: 2
MolWt: 172.25 Num_heavy_atoms: 12
TPSA: 53.94 NumAromaticRings: 0

Sugarmoiety
SD03900

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