Glycoside
GD039875
Name:
4-cl-bn7gpppg mrna 5' cap analogFormula:
C28H33O18N10P3ClSmiles:
Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H](n4c[n+](Cc5ccc(Cl)cc5)c5c(=O)[nH]c(N)nc54)[C@@H](O)[C@H]3O)C(O)C2O)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OC.Nc1nc2c(c(=O)[nH]1)N=C[N]2.Nc1nc2c(c(=O)[nH]1)[N+](Cc1ccc(Cl)cc1)=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.41 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 14 |
| MolWt: | 913.99 | Num_heavy_atoms: | 59 |
| TPSA: | 418.37 | NumAromaticRings: | 5 |
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 |
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 |
AD16214
Formula: C13H10ON5Cl
Smiles:
Nc1nc2c(c(=O)[nH]1)[N+](Cc1ccc(Cl)cc1)=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 275.7 | Num_heavy_atoms: | 19 |
| TPSA: | 88.88 | NumAromaticRings: | 2 |
