Glycoside
GD039001
Name:
[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},6~{r})-6-methyl-3,4-bis(oxidanyl)-5-oxidanylidene-oxan-2-yl] hydrogen phosphateFormula:
C16H23O15N5P2Smiles:
C[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)C1=OAglycone:
COP(=O)(O)OP(=O)(O)OC1OC(C)C(=O)C(O)C1O.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | -3.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 587.33 | Num_heavy_atoms: | 38 |
| TPSA: | 308.33 | NumAromaticRings: | 2 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD24228
Formula: C7H14O11P2
Smiles:
COP(=O)(O)OP(=O)(O)OC1OC(C)C(=O)C(O)C1O| HBA: | 11 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 336.13 | Num_heavy_atoms: | 20 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
