Glycoside
...
GD030769

Name:
None

Formula:
C12H16O13N5P3

Smiles:
N#C[C@@]1(O)C(n2ccc3c(N)ncnc32)O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O

Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1C=C[N]2

Sugarmoiety:
N#CC1(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 3
HBD: 8 FractionCSP3: 0.42
AlogP: -1.13 Num_rotatable_bonds: 8
MolWt: 531.2 Num_heavy_atoms: 33
TPSA: 290.03 NumAromaticRings: 2

Unique Aglycone
AD00138
Formula: C6H5N4

Smiles:
Nc1ncnc2c1C=C[N]2
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.28 Num_rotatable_bonds: 0
MolWt: 133.13 Num_heavy_atoms: 10
TPSA: 65.9 NumAromaticRings: 1
AD00534
Formula: CH7O10P3

Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O
HBA: 10 RingCount: 0
HBD: 4 FractionCSP3: 1.0
AlogP: -0.04 Num_rotatable_bonds: 5
MolWt: 271.98 Num_heavy_atoms: 14
TPSA: 159.82 NumAromaticRings: 0

Sugarmoiety
SD02976

N#CC1(O)C(O)OC(O)C1O