Glycoside
GD095782
Name:
NoneFormula:
C16H31O7N7PSmiles:
Nc1ncnc2c1nc(NCCCCCC[NH3+])n2[C@@H]1O[C@H](CO[PH](O)(O)O)[C@H](O)[C@@H]1OAglycone:
CO[PH](O)(O)O.Nc1ncnc2c1N=C(NCCCCCC[NH3+])[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.69 |
| AlogP: | -2.35 | Num_rotatable_bonds: | 11 |
| MolWt: | 464.44 | Num_heavy_atoms: | 31 |
| TPSA: | 228.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD01852
Formula: CH7O4P
Smiles:
CO[PH](O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.04 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD40819
Formula: C11H19N7
Smiles:
Nc1ncnc2c1N=C(NCCCCCC[NH3+])[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 249.32 | Num_heavy_atoms: | 18 |
| TPSA: | 117.93 | NumAromaticRings: | 1 |
