Glycoside
GD026038
Name:
NoneFormula:
C12H15O6N6PSmiles:
N#CC(C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)P(=O)(O)OAglycone:
CC(C#N)P(=O)(O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 370.26 | Num_heavy_atoms: | 25 |
| TPSA: | 200.63 | 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 |
AD17196
Formula: C3H6O3NP
Smiles:
CC(C#N)P(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.06 | Num_heavy_atoms: | 8 |
| TPSA: | 81.32 | NumAromaticRings: | 0 |
