Glycoside
...
GD001050

Name:
None

Formula:
C16H20O9N3I

Smiles:
CCOC(=O)c1nnn([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1I

Aglycone:
CCOC(=O)C1=C(I)[N]N=N1.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 0 FractionCSP3: 0.62
AlogP: 0.38 Num_rotatable_bonds: 7
MolWt: 525.25 Num_heavy_atoms: 29
TPSA: 145.14 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
AD01093
Formula: C5H5O2N3I

Smiles:
CCOC(=O)C1=C(I)[N]N=N1
HBA: 5 RingCount: 1
HBD: 0 FractionCSP3: 0.4
AlogP: 1.14 Num_rotatable_bonds: 2
MolWt: 266.02 Num_heavy_atoms: 11
TPSA: 65.12 NumAromaticRings: 0

Sugarmoiety
SD00105

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