Glycoside
GD038226
Name:
4-[2-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]ethylamino]-1-(methoxymethyl)pyrimidin-2-oneFormula:
C18H25O5N9Smiles:
COCn1ccc(NCCNC[C@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)nc1=OAglycone:
CNCCNc1ccn(COC)c(=O)n1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 9 |
| MolWt: | 447.46 | Num_heavy_atoms: | 32 |
| TPSA: | 187.49 | NumAromaticRings: | 3 |
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 |
AD23918
Formula: C9H16O2N4
Smiles:
CNCCNc1ccn(COC)c(=O)n1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 212.25 | Num_heavy_atoms: | 15 |
| TPSA: | 68.18 | NumAromaticRings: | 1 |
