Glycoside
GD089642
Name:
NoneFormula:
C16H22O7N6PSmiles:
Cc1c[nH+]ccc1Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[PH](O)(O)O)[C@@H](O)[C@@H]1OAglycone:
CO[PH](O)(O)O.Cc1c[nH+]ccc1Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 441.36 | Num_heavy_atoms: | 30 |
| TPSA: | 189.38 | NumAromaticRings: | 3 |
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 |
AD36188
Formula: C11H10N6
Smiles:
Cc1c[nH+]ccc1Nc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 226.24 | Num_heavy_atoms: | 17 |
| TPSA: | 78.41 | NumAromaticRings: | 2 |
