Glycoside
...
GD082559

Name:
None

Formula:
C15H24O10N2S

Smiles:
C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
CC(N)Cc1ccccc1[N+](=O)[O-].COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.6
AlogP: 0.08 Num_rotatable_bonds: 8
MolWt: 424.43 Num_heavy_atoms: 28
TPSA: 195.01 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
AD29108
Formula: C9H12O2N2

Smiles:
CC(N)Cc1ccccc1[N+](=O)[O-]
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.33
AlogP: 1.48 Num_rotatable_bonds: 3
MolWt: 180.21 Num_heavy_atoms: 13
TPSA: 69.16 NumAromaticRings: 1

Sugarmoiety
SD00017

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