Glycoside
GD038335
Name:
[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{r},3~{s},4~{r},5~{r})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphateFormula:
C20H30O18N8P3Smiles:
Cn1c[n+]([C@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H](n4ccc(N)nc4=O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)c2nc(N)[nH]c(=O)c21Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OC.Cn1c[nH+]c2nc(N)[nH]c(=O)c21.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.55 |
| AlogP: | -4.42 | Num_rotatable_bonds: | 12 |
| MolWt: | 763.42 | Num_heavy_atoms: | 49 |
| TPSA: | 389.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD02306
Formula: C2H9O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OC| HBA: | 10 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 286.01 | Num_heavy_atoms: | 15 |
| TPSA: | 148.82 | NumAromaticRings: | 0 |
AD14176
Formula: C6H8ON5
Smiles:
Cn1c[nH+]c2nc(N)[nH]c(=O)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 166.16 | Num_heavy_atoms: | 12 |
| TPSA: | 90.84 | NumAromaticRings: | 2 |
