Glycoside
GD038065
Name:
2'-o-prop-2-yn-1-yladenosine 5'-(dihydrogen phosphate)Formula:
C13H16O7N5PSmiles:
C#CCO[C@@H]1[C@@H](O)[C@@H](COP(=O)(O)O)O[C@H]1n1cnc2c(N)ncnc21Aglycone:
COP(=O)(O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
C#CCOC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 385.27 | Num_heavy_atoms: | 26 |
| TPSA: | 175.07 | 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 |
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
