Glycoside
...
GD099281

Name:
None

Formula:
C16H18O10N4S

Smiles:
N#Cc1cc(N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)nc2ccc([N+](=O)[O-])cc12

Aglycone:
COS(O)(O)O.N#Cc1cc(N)nc2ccc([N+](=O)[O-])cc12

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 7 FractionCSP3: 0.38
AlogP: 0.39 Num_rotatable_bonds: 6
MolWt: 458.41 Num_heavy_atoms: 31
TPSA: 231.69 NumAromaticRings: 2

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
AD42229
Formula: C10H6O2N4

Smiles:
N#Cc1cc(N)nc2ccc([N+](=O)[O-])cc12
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 1.6 Num_rotatable_bonds: 1
MolWt: 214.18 Num_heavy_atoms: 16
TPSA: 105.84 NumAromaticRings: 2

Sugarmoiety
SD00017

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