Glycoside
GD067624
Name:
NoneFormula:
C12H20O7N4PSmiles:
CO[PH](O)(O)OC[C@@H]1O[C@H](n2ccc3c(N)[nH+]cnc32)[C@H](O)[C@H]1OAglycone:
CO[PH](O)(O)OC.Nc1[nH+]cnc2c1C=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 363.29 | Num_heavy_atoms: | 24 |
| TPSA: | 166.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD24858
Formula: C6H6N4
Smiles:
Nc1[nH+]cnc2c1C=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.14 | Num_heavy_atoms: | 10 |
| TPSA: | 67.15 | NumAromaticRings: | 1 |
AD32214
Formula: C2H9O4P
Smiles:
CO[PH](O)(O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 128.06 | Num_heavy_atoms: | 7 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
