Glycoside
...
GD095980

Name:
None

Formula:
C18H21O9N5

Smiles:
COC(=O)[C@@H](OC(C)=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(=O)COC(C)=O.Nc1ncnc2c1N=C[N]2

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 2 FractionCSP3: 0.5
AlogP: -0.73 Num_rotatable_bonds: 6
MolWt: 451.39 Num_heavy_atoms: 32
TPSA: 184.05 NumAromaticRings: 2

Unique Aglycone
AD00058
Formula: C5H4N5

Smiles:
Nc1ncnc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: -0.03 Num_rotatable_bonds: 0
MolWt: 134.12 Num_heavy_atoms: 10
TPSA: 78.26 NumAromaticRings: 1
AD40839
Formula: C5H8O4

Smiles:
COC(=O)COC(C)=O
HBA: 4 RingCount: 0
HBD: 0 FractionCSP3: 0.6
AlogP: -0.28 Num_rotatable_bonds: 2
MolWt: 132.12 Num_heavy_atoms: 9
TPSA: 52.6 NumAromaticRings: 0

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O