Glycoside
GD037697
Name:
5'-o-[({[(2-{[(2-aminophenyl)carbonyl]oxy}ethyl)oxy]phosphinato}oxy)phosphinato]cytidineFormula:
C18H24O13N4P2Smiles:
Nc1ccn([C@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OCCOC(=O)c3ccccc3N)[C@@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)(O)OP(=O)(O)OCCOC(=O)c1ccccc1N.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.39 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 11 |
| MolWt: | 566.35 | Num_heavy_atoms: | 37 |
| TPSA: | 265.21 | NumAromaticRings: | 2 |
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 |
AD23702
Formula: C10H15O9NP2
Smiles:
COP(=O)(O)OP(=O)(O)OCCOC(=O)c1ccccc1N| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 355.18 | Num_heavy_atoms: | 22 |
| TPSA: | 154.61 | NumAromaticRings: | 1 |
