Glycoside
GD040354
Name:
2-[[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]ethanoic acidFormula:
C12H17O8N6PSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)NCC(=O)O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)NCC(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 404.28 | Num_heavy_atoms: | 27 |
| TPSA: | 215.17 | 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 |
AD07417
Formula: C3H8O5NP
Smiles:
COP(=O)(O)NCC(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 169.07 | Num_heavy_atoms: | 10 |
| TPSA: | 95.86 | NumAromaticRings: | 0 |
