Glycoside
GD106356
Name:
NoneFormula:
C11H20O12N5P3Smiles:
CO[P@](=O)(O[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)O[PH](O)(O)CP(=O)(O)OAglycone:
COP(=O)(O)O[PH](O)(O)CP(=O)(O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 507.23 | Num_heavy_atoms: | 31 |
| TPSA: | 262.06 | 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 |
AD44156
Formula: C2H11O9P3
Smiles:
COP(=O)(O)O[PH](O)(O)CP(=O)(O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 272.02 | Num_heavy_atoms: | 14 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
