Glycoside
GD038189
Name:
[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-[2-(1~{h}-indol-3-yl)ethyl]p hosphonamidic acidFormula:
C20H24O6N7PSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)NCCc2c[nH]c3ccccc23)[C@@H](O)[C@H]1OAglycone:
COP(=O)(O)NCCc1c[nH]c2ccccc12.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 489.43 | Num_heavy_atoms: | 34 |
| TPSA: | 193.66 | NumAromaticRings: | 4 |
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 |
AD04082
Formula: C11H15O3N2P
Smiles:
COP(=O)(O)NCCc1c[nH]c2ccccc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 254.23 | Num_heavy_atoms: | 17 |
| TPSA: | 74.35 | NumAromaticRings: | 2 |
