Glycoside
...
GD103834

Name:
None

Formula:
C22H24O9N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cnc3[nH]cc(C#N)c3c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.N#Cc1c[nH]c2ncc(N)cc12

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 2 FractionCSP3: 0.45
AlogP: 0.93 Num_rotatable_bonds: 7
MolWt: 488.45 Num_heavy_atoms: 35
TPSA: 178.93 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
AD43898
Formula: C8H6N4

Smiles:
N#Cc1c[nH]c2ncc(N)cc12
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: 1.02 Num_rotatable_bonds: 0
MolWt: 158.16 Num_heavy_atoms: 12
TPSA: 78.49 NumAromaticRings: 2

Sugarmoiety
SD00889

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