Glycoside
...
GD099311

Name:
None

Formula:
C20H21O9N5

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cnc(C#N)c(C#N)n2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.N#Cc1ncc(N)nc1C#N

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: -0.29 Num_rotatable_bonds: 7
MolWt: 475.41 Num_heavy_atoms: 34
TPSA: 199.82 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
AD26802
Formula: C6H3N5

Smiles:
N#Cc1ncc(N)nc1C#N
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.2 Num_rotatable_bonds: 0
MolWt: 145.12 Num_heavy_atoms: 11
TPSA: 99.38 NumAromaticRings: 1

Sugarmoiety
SD00889

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