Glycoside
GD033342
Name:
NoneFormula:
C10H15O13N5P3BrSmiles:
Nc1ncnc2c1nc(Br)n2C1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1N=C(Br)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 8 |
| MolWt: | 586.08 | Num_heavy_atoms: | 32 |
| TPSA: | 279.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD00486
Formula: C5H3N5Br
Smiles:
Nc1ncnc2c1N=C(Br)[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 0 |
| MolWt: | 213.02 | Num_heavy_atoms: | 11 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
