Glycoside
...
GD095243

Name:
None

Formula:
C20H33O10N2S

Smiles:
O=C(CN1CCC([NH2+][C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC1)OCc1ccccc1

Aglycone:
COS(O)(O)O.[NH3+]C1CCN(CC(=O)OCc2ccccc2)CC1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 8 FractionCSP3: 0.65
AlogP: -1.28 Num_rotatable_bonds: 9
MolWt: 493.56 Num_heavy_atoms: 33
TPSA: 185.99 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
AD37065
Formula: C14H21O2N2

Smiles:
[NH3+]C1CCN(CC(=O)OCc2ccccc2)CC1
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.5
AlogP: 0.44 Num_rotatable_bonds: 4
MolWt: 249.33 Num_heavy_atoms: 18
TPSA: 57.18 NumAromaticRings: 1

Sugarmoiety
SD03900

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