Glycoside
...
GD101448

Name:
None

Formula:
C22H28O9N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2nc(C)nc3c2ccn3C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1nc(N)c2ccn(C)c2n1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.55
AlogP: 0.77 Num_rotatable_bonds: 7
MolWt: 492.49 Num_heavy_atoms: 35
TPSA: 157.17 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
AD25669
Formula: C8H10N4

Smiles:
Cc1nc(N)c2ccn(C)c2n1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.25
AlogP: 0.86 Num_rotatable_bonds: 0
MolWt: 162.2 Num_heavy_atoms: 12
TPSA: 56.73 NumAromaticRings: 2

Sugarmoiety
SD00889

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