Glycoside
GD039873
Name:
bn7gpppg mrna 5' cap analogFormula:
C27H31O18N10P3Smiles:
Nc1nc2c(ncn2[C@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@H](n4c[n+](Cc5ccccc5)c5c(=O)nc(N)[nH]c54)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC.Nc1nc(=O)c2c([nH]1)[N]C=[N+]2Cc1ccccc1.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.41 |
| AlogP: | -4.93 | Num_rotatable_bonds: | 14 |
| MolWt: | 876.52 | Num_heavy_atoms: | 58 |
| TPSA: | 426.86 | 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 |
AD24566
Formula: C2H6O10P3
Smiles:
COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC| HBA: | 10 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 282.98 | Num_heavy_atoms: | 15 |
| TPSA: | 157.31 | NumAromaticRings: | 0 |
AD24567
Formula: C12H11ON5
Smiles:
Nc1nc(=O)c2c([nH]1)[N]C=[N+]2Cc1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 241.25 | Num_heavy_atoms: | 18 |
| TPSA: | 88.88 | NumAromaticRings: | 2 |
