Glycoside
GD105850
Name:
NoneFormula:
C9H19O13N6P3Smiles:
Nc1ncnc2c1nnn2[C@@H]1O[C@H](CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1OAglycone:
CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O.Nc1ncnc2c1N=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.56 |
| AlogP: | -3.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 512.2 | Num_heavy_atoms: | 31 |
| TPSA: | 298.34 | NumAromaticRings: | 2 |
Unique Aglycone
AD00986
Formula: C4H3N6
Smiles:
Nc1ncnc2c1N=N[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 90.62 | NumAromaticRings: | 1 |
AD40402
Formula: CH11O10P3
Smiles:
CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 276.01 | Num_heavy_atoms: | 14 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
