Glycoside
...
GD019644

Name:
None

Formula:
C14H18O9N5P

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

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

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 4 FractionCSP3: 0.5
AlogP: -0.72 Num_rotatable_bonds: 6
MolWt: 431.3 Num_heavy_atoms: 29
TPSA: 198.21 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
AD00079
Formula: CH5O4P

Smiles:
COP(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: -0.27 Num_rotatable_bonds: 1
MolWt: 112.02 Num_heavy_atoms: 6
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD00105

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