Glycoside
GD038223
Name:
[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-3~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{n}-ethyl-phosphonamidic acidFormula:
C12H19O7N6PSmiles:
CCNP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(=O)nc(N)[nH]c32)[C@H](O)[C@@H]1OAglycone:
CCNP(=O)(O)OC.Nc1nc(=O)c2c([nH]1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 390.29 | Num_heavy_atoms: | 26 |
| TPSA: | 197.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD01192
Formula: C5H4ON5
Smiles:
Nc1nc(=O)c2c([nH]1)[N]C=N2| 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 |
AD23915
Formula: C3H10O3NP
Smiles:
CCNP(=O)(O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 139.09 | Num_heavy_atoms: | 8 |
| TPSA: | 58.56 | NumAromaticRings: | 0 |
