Glycoside
GD037733
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-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphateFormula:
C24H28O13N6P2ISmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H]([n+]3ccc4c(I)cccc4c3)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OC.Ic1cccc2c[nH+]ccc12.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 10 |
| MolWt: | 797.37 | Num_heavy_atoms: | 46 |
| TPSA: | 275.17 | 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 |
AD23715
Formula: C9H7NI
Smiles:
Ic1cccc2c[nH+]ccc12| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 0 |
| MolWt: | 256.07 | Num_heavy_atoms: | 11 |
| TPSA: | 14.14 | NumAromaticRings: | 2 |
