Glycoside
...
GD098025

Name:
None

Formula:
C19H28O9N2ClS

Smiles:
O=C(c1ccc(Cl)cc1)N1CCC([NH2+][C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC1

Aglycone:
COS(O)(O)O.[NH3+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 8 FractionCSP3: 0.61
AlogP: -0.53 Num_rotatable_bonds: 6
MolWt: 483.95 Num_heavy_atoms: 31
TPSA: 176.76 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
AD38017
Formula: C13H16ON2Cl

Smiles:
[NH3+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1
HBA: 3 RingCount: 2
HBD: 3 FractionCSP3: 0.42
AlogP: 1.19 Num_rotatable_bonds: 1
MolWt: 239.73 Num_heavy_atoms: 16
TPSA: 47.95 NumAromaticRings: 1

Sugarmoiety
SD03900

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