Glycoside
GD037730
Name:
[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-5-(8-azanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphateFormula:
C24H30O13N7P2Smiles:
Nc1cccc2cc[n+]([C@H]3O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]4O[C@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)cc12Aglycone:
COP(=O)(O)OP(=O)(O)OC.Nc1cccc2cc[nH+]cc12.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.42 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 10 |
| MolWt: | 686.49 | Num_heavy_atoms: | 46 |
| TPSA: | 301.19 | NumAromaticRings: | 4 |
Unique Aglycone
AD00050
Formula: C2H8O7P2
Smiles:
COP(=O)(O)OP(=O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 206.03 | Num_heavy_atoms: | 11 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
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 |
AD23712
Formula: C9H9N2
Smiles:
Nc1cccc2cc[nH+]cc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 0 |
| MolWt: | 145.19 | Num_heavy_atoms: | 11 |
| TPSA: | 40.16 | NumAromaticRings: | 2 |
