Glycoside
...
GD099122

Name:
None

Formula:
C18H22O11N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2nccnc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1nccnc1[N+](=O)[O-]

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 1 FractionCSP3: 0.56
AlogP: -0.12 Num_rotatable_bonds: 8
MolWt: 470.39 Num_heavy_atoms: 33
TPSA: 195.38 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD26626
Formula: C4H4O2N4

Smiles:
Nc1nccnc1[N+](=O)[O-]
HBA: 6 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.03 Num_rotatable_bonds: 1
MolWt: 140.1 Num_heavy_atoms: 10
TPSA: 94.94 NumAromaticRings: 1

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O