Glycoside
...
GD103612

Name:
None

Formula:
C20H26O11N4

Smiles:
CNc1cc([N+](=O)[O-])cnc1N[C@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CNc1cc([N+](=O)[O-])cnc1N.COC(C)=O

Sugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 2 FractionCSP3: 0.55
AlogP: 0.53 Num_rotatable_bonds: 9
MolWt: 498.45 Num_heavy_atoms: 35
TPSA: 194.52 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
AD43834
Formula: C6H8O2N4

Smiles:
CNc1cc([N+](=O)[O-])cnc1N
HBA: 6 RingCount: 1
HBD: 3 FractionCSP3: 0.17
AlogP: 0.61 Num_rotatable_bonds: 2
MolWt: 168.16 Num_heavy_atoms: 12
TPSA: 94.08 NumAromaticRings: 1

Sugarmoiety
SD00215

CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O