Glycoside
...
GD101578

Name:
None

Formula:
C22H28O9N4

Smiles:
CCc1nnc2ccc(N[C@H]3[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)cn12

Aglycone:
CCc1nnc2ccc(N)cn12.COC(C)=O

Sugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.55
AlogP: 0.79 Num_rotatable_bonds: 8
MolWt: 492.49 Num_heavy_atoms: 35
TPSA: 156.65 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
AD25785
Formula: C8H10N4

Smiles:
CCc1nnc2ccc(N)cn12
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.25
AlogP: 0.87 Num_rotatable_bonds: 1
MolWt: 162.2 Num_heavy_atoms: 12
TPSA: 56.21 NumAromaticRings: 2

Sugarmoiety
SD00215

CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O