Glycoside
...
GD081097

Name:
None

Formula:
C14H30O10NS

Smiles:
CCOC(=O)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:
CCOC(=O)CCCC(C)[NH3+].COS(O)(O)O

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

Other Identifiers

Properties
HBA: 11 RingCount: 1
HBD: 8 FractionCSP3: 0.93
AlogP: -1.37 Num_rotatable_bonds: 10
MolWt: 404.46 Num_heavy_atoms: 26
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
AD26585
Formula: C8H18O2N

Smiles:
CCOC(=O)CCCC(C)[NH3+]
HBA: 3 RingCount: 0
HBD: 3 FractionCSP3: 0.88
AlogP: 0.35 Num_rotatable_bonds: 5
MolWt: 160.24 Num_heavy_atoms: 11
TPSA: 53.94 NumAromaticRings: 0

Sugarmoiety
SD03900

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