Glycoside
...
GD083796

Name:
None

Formula:
C17H30O8NS

Smiles:
Cc1ccc(CC[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:
COS(O)(O)O.Cc1ccc(CCC(C)[NH3+])cc1

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

Other Identifiers

Properties
HBA: 9 RingCount: 2
HBD: 8 FractionCSP3: 0.65
AlogP: -0.16 Num_rotatable_bonds: 8
MolWt: 408.49 Num_heavy_atoms: 27
TPSA: 156.45 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
AD30150
Formula: C11H18N

Smiles:
Cc1ccc(CCC(C)[NH3+])cc1
HBA: 1 RingCount: 1
HBD: 3 FractionCSP3: 0.45
AlogP: 1.56 Num_rotatable_bonds: 3
MolWt: 164.27 Num_heavy_atoms: 12
TPSA: 27.64 NumAromaticRings: 1

Sugarmoiety
SD03900

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