Glycoside
GD059065
Name:
NoneFormula:
C12H20O7N3PSmiles:
Nc1cccc2c1NCN2[C@H]1O[C@@H](CO[PH](O)(O)O)[C@H](O)[C@@H]1OAglycone:
CO[PH](O)(O)O.Nc1cccc2c1NCN2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 349.28 | Num_heavy_atoms: | 23 |
| TPSA: | 160.9 | NumAromaticRings: | 1 |
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 |
AD29378
Formula: C7H9N3
Smiles:
Nc1cccc2c1NCN2| HBA: | 3 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 50.08 | NumAromaticRings: | 1 |
