Glycoside
...
GD092194

Name:
None

Formula:
C17H27O10N2S

Smiles:
O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)CC2

Aglycone:
COS(O)(O)O.[NH3+]C1CCc2ccc([N+](=O)[O-])cc2CC1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 8 FractionCSP3: 0.65
AlogP: -0.63 Num_rotatable_bonds: 6
MolWt: 451.47 Num_heavy_atoms: 30
TPSA: 199.59 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
AD40241
Formula: C11H15O2N2

Smiles:
[NH3+]C1CCc2ccc([N+](=O)[O-])cc2CC1
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.45
AlogP: 1.08 Num_rotatable_bonds: 1
MolWt: 207.25 Num_heavy_atoms: 15
TPSA: 70.78 NumAromaticRings: 1

Sugarmoiety
SD03900

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