Glycoside
GD011692
Name:
NoneFormula:
C16H20O12N9P3Smiles:
[N-]=[N+]=Nc1ccc(NP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)cc1Aglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)Nc1ccc(N=[N+]=[N-])cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.31 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 11 |
| MolWt: | 623.31 | Num_heavy_atoms: | 40 |
| TPSA: | 319.69 | NumAromaticRings: | 3 |
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 |
AD08903
Formula: C7H11O9N4P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)Nc1ccc(N=[N+]=[N-])cc1| HBA: | 13 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 388.11 | Num_heavy_atoms: | 23 |
| TPSA: | 200.38 | NumAromaticRings: | 1 |
