Glycoside
...
GD099121

Name:
None

Formula:
C18H21O9N5

Smiles:
CCOC(=O)c1cc(Nc2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc([N+](=O)[O-])c1

Aglycone:
CCOC(=O)c1cc(NC2=C(C(N)=O)N=C[N]2)cc([N+](=O)[O-])c1

Sugarmoiety:
OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 6 FractionCSP3: 0.39
AlogP: -0.58 Num_rotatable_bonds: 8
MolWt: 451.39 Num_heavy_atoms: 32
TPSA: 212.3 NumAromaticRings: 2

Unique Aglycone
AD42194
Formula: C13H12O5N5

Smiles:
CCOC(=O)c1cc(NC2=C(C(N)=O)N=C[N]2)cc([N+](=O)[O-])c1
HBA: 10 RingCount: 2
HBD: 3 FractionCSP3: 0.15
AlogP: 0.48 Num_rotatable_bonds: 6
MolWt: 318.27 Num_heavy_atoms: 23
TPSA: 151.02 NumAromaticRings: 1

Sugarmoiety
SD00015

OCC1OC(O)C(O)C1O