Glycoside
GD038706
Name:
guanosine 5'-triphosphate p3-[1-(2-nitrophenyl)ethyl ester]Formula:
C18H23O16N6P3Smiles:
C[C@@H](O[P@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O)c1ccccc1[N+](=O)[O-]Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OC(C)c1ccccc1[N+](=O)[O-].Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.39 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 12 |
| MolWt: | 672.33 | Num_heavy_atoms: | 43 |
| TPSA: | 331.24 | NumAromaticRings: | 3 |
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 |
AD24020
Formula: C9H14O12NP3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OC(C)c1ccccc1[N+](=O)[O-]| HBA: | 13 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 9 |
| MolWt: | 421.13 | Num_heavy_atoms: | 25 |
| TPSA: | 191.96 | NumAromaticRings: | 1 |
