Glycoside
GD018464
Name:
NoneFormula:
C25H31O13N10P3Smiles:
Nc1ncnc2c1ncn2[C@@H]1C[C@H](OP(=O)(O)O)[C@H](CO[PH](O)(O[C@@H]2O[C@H](n3cnc4c(N)ncnc43)C[C@H]2O)OP(=O)(O)c2ccccc2)O1Aglycone:
Nc1ncnc2c1N=C[N]2.Nc1ncnc2c1ncn2C1CC(OP(=O)(O)O)C(CO[PH](O)(O)OP(=O)(O)c2ccccc2)O1Sugarmoiety:
OC1CC(O)C(O)O1Other Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.36 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 12 |
| MolWt: | 772.5 | Num_heavy_atoms: | 51 |
| TPSA: | 329.91 | NumAromaticRings: | 5 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD13025
Formula: C16H22O11N5P3
Smiles:
Nc1ncnc2c1ncn2C1CC(OP(=O)(O)O)C(CO[PH](O)(O)OP(=O)(O)c2ccccc2)O1| HBA: | 16 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.31 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 9 |
| MolWt: | 553.3 | Num_heavy_atoms: | 35 |
| TPSA: | 241.83 | NumAromaticRings: | 3 |
