Glycoside
...
GD087852

Name:
None

Formula:
C17H28O10NS

Smiles:
CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
CCC([NH3+])Cc1ccc2c(c1)OCO2.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 8 FractionCSP3: 0.65
AlogP: -0.74 Num_rotatable_bonds: 8
MolWt: 438.48 Num_heavy_atoms: 29
TPSA: 174.91 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
AD32115
Formula: C11H16O2N

Smiles:
CCC([NH3+])Cc1ccc2c(c1)OCO2
HBA: 3 RingCount: 2
HBD: 3 FractionCSP3: 0.45
AlogP: 0.98 Num_rotatable_bonds: 3
MolWt: 194.25 Num_heavy_atoms: 14
TPSA: 46.1 NumAromaticRings: 1

Sugarmoiety
SD03900

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