Glycoside
...
GD075913

Name:
None

Formula:
C12H25O10N2S

Smiles:
O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)C1

Aglycone:
COS(O)(O)O.[NH3+]C1CCC(C[N+](=O)[O-])C1

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 8 FractionCSP3: 1.0
AlogP: -2.04 Num_rotatable_bonds: 7
MolWt: 389.4 Num_heavy_atoms: 25
TPSA: 199.59 NumAromaticRings: 0

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
AD26647
Formula: C6H13O2N2

Smiles:
[NH3+]C1CCC(C[N+](=O)[O-])C1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 1.0
AlogP: -0.33 Num_rotatable_bonds: 2
MolWt: 145.18 Num_heavy_atoms: 10
TPSA: 70.78 NumAromaticRings: 0

Sugarmoiety
SD03900

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