Glycoside
...
GD001048

Name:
None

Formula:
C22H27O10N3

Smiles:
COC(=O)c1nc(C#CC2(O)CCCC2)n([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)n1

Aglycone:
COC(=O)C1=N[N]C(C#CC2(O)CCCC2)=N1.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.64
AlogP: 0.05 Num_rotatable_bonds: 6
MolWt: 493.47 Num_heavy_atoms: 35
TPSA: 165.37 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
AD01091
Formula: C11H12O3N3

Smiles:
COC(=O)C1=N[N]C(C#CC2(O)CCCC2)=N1
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.55
AlogP: -0.2 Num_rotatable_bonds: 1
MolWt: 234.23 Num_heavy_atoms: 17
TPSA: 85.35 NumAromaticRings: 0

Sugarmoiety
SD00105

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