Glycoside
...
GD068867

Name:
None

Formula:
C14H30O8NS

Smiles:
C[C@H]1CC([NH2+][C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)C[C@H](C)C1

Aglycone:
CC1CC(C)CC([NH3+])C1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 9 RingCount: 2
HBD: 8 FractionCSP3: 1.0
AlogP: -0.66 Num_rotatable_bonds: 5
MolWt: 372.46 Num_heavy_atoms: 24
TPSA: 156.45 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
AD25334
Formula: C8H18N

Smiles:
CC1CC(C)CC([NH3+])C1
HBA: 1 RingCount: 1
HBD: 3 FractionCSP3: 1.0
AlogP: 1.05 Num_rotatable_bonds: 0
MolWt: 128.24 Num_heavy_atoms: 9
TPSA: 27.64 NumAromaticRings: 0

Sugarmoiety
SD03900

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