Glycoside
...
GD005063

Name:
None

Formula:
C22H30O13N4

Smiles:
CC(=O)OC[C@@H]1O[C@H](OCCN(C)C(=O)Cn2ccnc2[N+](=O)[O-])[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CN(CCO)C(=O)Cn1ccnc1[N+](=O)[O-].COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 17 RingCount: 2
HBD: 0 FractionCSP3: 0.64
AlogP: -0.65 Num_rotatable_bonds: 12
MolWt: 558.5 Num_heavy_atoms: 39
TPSA: 204.93 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
AD03471
Formula: C8H12O4N4

Smiles:
CN(CCO)C(=O)Cn1ccnc1[N+](=O)[O-]
HBA: 8 RingCount: 1
HBD: 1 FractionCSP3: 0.5
AlogP: -0.76 Num_rotatable_bonds: 5
MolWt: 228.21 Num_heavy_atoms: 16
TPSA: 101.5 NumAromaticRings: 1

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O