Glycoside
...
GD083755

Name:
None

Formula:
C18H32O8NS

Smiles:
CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
CC(C)CC([NH3+])Cc1ccccc1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 9 RingCount: 2
HBD: 8 FractionCSP3: 0.67
AlogP: 0.17 Num_rotatable_bonds: 9
MolWt: 422.52 Num_heavy_atoms: 28
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
AD37338
Formula: C12H20N

Smiles:
CC(C)CC([NH3+])Cc1ccccc1
HBA: 1 RingCount: 1
HBD: 3 FractionCSP3: 0.5
AlogP: 1.89 Num_rotatable_bonds: 4
MolWt: 178.3 Num_heavy_atoms: 13
TPSA: 27.64 NumAromaticRings: 1

Sugarmoiety
SD03900

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