Glycoside
...
GD095630

Name:
None

Formula:
C17H28O10N3S

Smiles:
O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)CC2)cc1

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

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 8 FractionCSP3: 0.65
AlogP: -0.91 Num_rotatable_bonds: 7
MolWt: 466.49 Num_heavy_atoms: 31
TPSA: 202.83 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
AD35146
Formula: C11H16O2N3

Smiles:
[NH3+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.45
AlogP: 0.81 Num_rotatable_bonds: 2
MolWt: 222.27 Num_heavy_atoms: 16
TPSA: 74.02 NumAromaticRings: 1

Sugarmoiety
SD03900

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