Glycoside
...
GD091823

Name:
None

Formula:
C18H30O10NS

Smiles:
CCOC(=O)c1ccc(C[C@@H](C)[NH2+][C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc1

Aglycone:
CCOC(=O)c1ccc(CC(C)[NH3+])cc1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 8 FractionCSP3: 0.61
AlogP: -0.68 Num_rotatable_bonds: 9
MolWt: 452.5 Num_heavy_atoms: 30
TPSA: 182.75 NumAromaticRings: 1

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
AD40041
Formula: C12H18O2N

Smiles:
CCOC(=O)c1ccc(CC(C)[NH3+])cc1
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 0.42
AlogP: 1.04 Num_rotatable_bonds: 4
MolWt: 208.28 Num_heavy_atoms: 15
TPSA: 53.94 NumAromaticRings: 1

Sugarmoiety
SD03900

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