Glycoside
GD086384
Name:
NoneFormula:
C11H25O11N4P2Smiles:
Nc1ccn([C@@H]2O[C@H](CO[PH](O)(O)O[PH](O)(O)OCC[NH3+])[C@@H](O)[C@H]2O)c(=O)n1Aglycone:
CO[PH](O)(O)O[PH](O)(O)OCC[NH3+].Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.64 |
| AlogP: | -4.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 451.29 | Num_heavy_atoms: | 28 |
| TPSA: | 246.85 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD38288
Formula: C3H16O7NP2
Smiles:
CO[PH](O)(O)O[PH](O)(O)OCC[NH3+]| HBA: | 8 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 240.11 | Num_heavy_atoms: | 13 |
| TPSA: | 136.25 | NumAromaticRings: | 0 |
