Glycoside
GD040357
Name:
(2~{s})-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]-3-phenyl-propanoic acidFormula:
C19H23O8N6PSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)N[C@H](Cc2ccccc2)C(=O)O)[C@@H](O)[C@H]1OAglycone:
COP(=O)(O)NC(Cc1ccccc1)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 494.4 | Num_heavy_atoms: | 34 |
| TPSA: | 215.17 | 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 |
AD12193
Formula: C10H14O5NP
Smiles:
COP(=O)(O)NC(Cc1ccccc1)C(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 259.2 | Num_heavy_atoms: | 17 |
| TPSA: | 95.86 | NumAromaticRings: | 1 |
