Glycoside
...
GD103823

Name:
None

Formula:
C21H23O9N5

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cc3nc[nH]c3c(C#N)n2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.N#Cc1nc(N)cc2nc[nH]c12

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 2 FractionCSP3: 0.48
AlogP: 0.32 Num_rotatable_bonds: 7
MolWt: 489.44 Num_heavy_atoms: 35
TPSA: 191.82 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
AD43896
Formula: C7H5N5

Smiles:
N#Cc1nc(N)cc2nc[nH]c12
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: 0.41 Num_rotatable_bonds: 0
MolWt: 159.15 Num_heavy_atoms: 12
TPSA: 91.38 NumAromaticRings: 2

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O