Glycoside
GD106231
Name:
NoneFormula:
C11H22O13N5P3Smiles:
CO[C@@H]1[C@H](O)[C@@H](CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(N)ncnc21Aglycone:
CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -2.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 525.24 | Num_heavy_atoms: | 32 |
| TPSA: | 274.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | 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 |
