Glycoside
...
GD075890

Name:
None

Formula:
C11H23O11N3S

Smiles:
O=[N+]([O-])C1CCN(O)C(N[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.NC1CC([N+](=O)[O-])CCN1O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 8 FractionCSP3: 1.0
AlogP: -2.0 Num_rotatable_bonds: 6
MolWt: 405.38 Num_heavy_atoms: 26
TPSA: 218.48 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
AD26637
Formula: C5H11O3N3

Smiles:
NC1CC([N+](=O)[O-])CCN1O
HBA: 6 RingCount: 1
HBD: 3 FractionCSP3: 1.0
AlogP: -0.6 Num_rotatable_bonds: 1
MolWt: 161.16 Num_heavy_atoms: 11
TPSA: 92.63 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O