Glycoside
GD038399
Name:
9-{5-o-[(r)-hydroxy{[(r)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-l-arabinofuranosyl}-9h-purin-6-amineFormula:
C10H17O12N6P3Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)NP(=O)(O)O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OP(=O)(O)NP(=O)(O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 506.2 | Num_heavy_atoms: | 31 |
| TPSA: | 281.93 | 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 |
AD00256
Formula: CH8O9NP3
Smiles:
COP(=O)(O)OP(=O)(O)NP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 270.99 | Num_heavy_atoms: | 14 |
| TPSA: | 162.62 | NumAromaticRings: | 0 |
