Glycoside
GD026331
Name:
NoneFormula:
C14H21O12N6P3Smiles:
C#CCCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
C#CCCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 11 |
| MolWt: | 558.27 | Num_heavy_atoms: | 35 |
| TPSA: | 270.93 | 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 |
AD17361
Formula: C5H12O9NP3
Smiles:
C#CCCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 8 |
| MolWt: | 323.07 | Num_heavy_atoms: | 18 |
| TPSA: | 151.62 | NumAromaticRings: | 0 |
