Glycoside
...
GD106198

Name:
None

Formula:
C20H24O14N6S2

Smiles:
CC(=O)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H](/C=N\c2cnc([N+](=O)[O-])s2)[C@@H](CO)O[C@H](O)/C=N/c2cnc([N+](=O)[O-])s2)[C@@H]1O

Aglycone:
O=[N+]([O-])c1ncc(N=CC(O)OC(CO)C(O)C=Nc2cnc([N+](=O)[O-])s2)s1

Sugarmoiety:
CC(=O)OC1C(O)C(O)OC(CO)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 3
HBD: 5 FractionCSP3: 0.55
AlogP: -1.03 Num_rotatable_bonds: 14
MolWt: 636.57 Num_heavy_atoms: 42
TPSA: 291.92 NumAromaticRings: 2

Unique Aglycone
AD44117
Formula: C12H12O8N6S2

Smiles:
O=[N+]([O-])c1ncc(N=CC(O)OC(CO)C(O)C=Nc2cnc([N+](=O)[O-])s2)s1
HBA: 14 RingCount: 2
HBD: 3 FractionCSP3: 0.33
AlogP: 0.58 Num_rotatable_bonds: 10
MolWt: 432.4 Num_heavy_atoms: 28
TPSA: 206.7 NumAromaticRings: 2

Sugarmoiety
SD00752

CC(=O)OC1C(O)C(O)OC(CO)C1O