Glycoside
GD039196
Name:
[[[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acidFormula:
C10H18O16N6P4Smiles:
Nc1nc2c(ncn2[C@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](OP(=O)(O)NP(=O)(O)O)[C@@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)O.Nc1nc2c(c(=O)[nH]1)N=C[N]2.O=P(O)(O)NP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.5 |
| AlogP: | -2.65 | Num_rotatable_bonds: | 10 |
| MolWt: | 602.18 | Num_heavy_atoms: | 36 |
| TPSA: | 348.43 | 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 |
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD23769
Formula: H5O6NP2
Smiles:
O=P(O)(O)NP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 176.99 | Num_heavy_atoms: | 9 |
| TPSA: | 127.09 | NumAromaticRings: | 0 |
