Glycoside
GD038124
Name:
[(2~{r},3~{s},4~{r},5~{r})-5-[6-(ethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphateFormula:
C19H28O8N6PClSmiles:
O=C(CCl)NCCCCCCNc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)O.O=C(CCl)NCCCCCCNc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 13 |
| MolWt: | 522.88 | Num_heavy_atoms: | 34 |
| TPSA: | 201.18 | NumAromaticRings: | 2 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD23864
Formula: C14H18ON6Cl
Smiles:
O=C(CCl)NCCCCCCNc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 309.78 | Num_heavy_atoms: | 21 |
| TPSA: | 93.37 | NumAromaticRings: | 1 |
