Glycoside
...
GD091829

Name:
None

Formula:
C19H32O9NS

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H]([NH2+][C@H]2CC[C@@H](OCc3ccccc3)CC2)[C@H]1O

Aglycone:
COS(O)(O)O.[NH3+]C1CCC(OCc2ccccc2)CC1

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 8 FractionCSP3: 0.68
AlogP: 0.04 Num_rotatable_bonds: 8
MolWt: 450.53 Num_heavy_atoms: 30
TPSA: 165.68 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
AD40045
Formula: C13H20ON

Smiles:
[NH3+]C1CCC(OCc2ccccc2)CC1
HBA: 2 RingCount: 2
HBD: 3 FractionCSP3: 0.54
AlogP: 1.76 Num_rotatable_bonds: 3
MolWt: 206.31 Num_heavy_atoms: 15
TPSA: 36.87 NumAromaticRings: 1

Sugarmoiety
SD03900

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