Glycoside
...
GD022448

Name:
None

Formula:
C17H21O11N3

Smiles:
CC(=O)OCC1OC(n2ccnc2[N+](=O)[O-])C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.O=[N+]([O-])C1=NC=C[N]1

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 0 FractionCSP3: 0.59
AlogP: 0.05 Num_rotatable_bonds: 7
MolWt: 443.37 Num_heavy_atoms: 31
TPSA: 175.39 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
AD04625
Formula: C3H2O2N3

Smiles:
O=[N+]([O-])C1=NC=C[N]1
HBA: 5 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: -0.29 Num_rotatable_bonds: 0
MolWt: 112.07 Num_heavy_atoms: 8
TPSA: 69.6 NumAromaticRings: 0

Sugarmoiety
SD00012

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