Glycoside
GD038360
Name:
[(3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphateFormula:
C9H14O12N5P3Smiles:
Nc1ncnc2c1ncn2[C@H]1OC[C@H](OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=P(O)(O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 477.16 | Num_heavy_atoms: | 29 |
| TPSA: | 258.9 | 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 |
AD00437
Formula: H5O10P3
Smiles:
O=P(O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 257.95 | Num_heavy_atoms: | 13 |
| TPSA: | 170.82 | NumAromaticRings: | 0 |
