Glycoside
...
GD009178

Name:
None

Formula:
C28H33O9N3

Smiles:
CCCCCc1ccc(C#Cc2nc(C(=O)OC)n([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)n2)cc1

Aglycone:
CCCCCc1ccc(C#CC2=N[N]C(C(=O)OC)=N2)cc1.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 0 FractionCSP3: 0.5
AlogP: 2.52 Num_rotatable_bonds: 10
MolWt: 555.58 Num_heavy_atoms: 40
TPSA: 145.14 NumAromaticRings: 2

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
AD07219
Formula: C17H18O2N3

Smiles:
CCCCCc1ccc(C#CC2=N[N]C(C(=O)OC)=N2)cc1
HBA: 5 RingCount: 2
HBD: 0 FractionCSP3: 0.35
AlogP: 2.27 Num_rotatable_bonds: 5
MolWt: 296.35 Num_heavy_atoms: 22
TPSA: 65.12 NumAromaticRings: 1

Sugarmoiety
SD00105

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