Glycoside
GD023476
Name:
NoneFormula:
C23H37O13N8F3P2Smiles:
Nc1ncnc2c1nc(NCCCCCCNC(=O)C(F)(F)F)n2C1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]2NC[C@H](O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OCC1NCC(O)C1O.Nc1ncnc2c1N=C(NCCCCCCNC(=O)C(F)(F)F)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.74 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 17 |
| MolWt: | 752.53 | Num_heavy_atoms: | 49 |
| TPSA: | 315.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD01888
Formula: C6H15O9NP2
Smiles:
COP(=O)(O)OP(=O)(O)OCC1NCC(O)C1O| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 307.13 | Num_heavy_atoms: | 18 |
| TPSA: | 154.78 | NumAromaticRings: | 0 |
AD15780
Formula: C13H17ON7F3
Smiles:
Nc1ncnc2c1N=C(NCCCCCCNC(=O)C(F)(F)F)[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 344.32 | Num_heavy_atoms: | 24 |
| TPSA: | 119.39 | NumAromaticRings: | 1 |
