Glycoside
...
GD095470

Name:
None

Formula:
C18H35O11N2S

Smiles:
CC(C)(C)OC(=O)N1CC2(C[C@H]([NH2+][C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)CCO2)C1

Aglycone:
CC(C)(C)OC(=O)N1CC2(CC([NH3+])CCO2)C1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 8 FractionCSP3: 0.94
AlogP: -1.32 Num_rotatable_bonds: 5
MolWt: 487.55 Num_heavy_atoms: 32
TPSA: 195.22 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
AD37045
Formula: C12H23O3N2

Smiles:
CC(C)(C)OC(=O)N1CC2(CC([NH3+])CCO2)C1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.92
AlogP: 0.4 Num_rotatable_bonds: 0
MolWt: 243.33 Num_heavy_atoms: 17
TPSA: 66.41 NumAromaticRings: 0

Sugarmoiety
SD03900

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