Glycoside
GD038510
Name:
5'-o-prop-2-yn-1-yladenosineFormula:
C13H15O4N5Smiles:
C#CCOC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
C#CCOC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 305.29 | Num_heavy_atoms: | 22 |
| TPSA: | 128.54 | 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 |
AD07897
Formula: C4H6O
Smiles:
C#CCOC| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 70.09 | Num_heavy_atoms: | 5 |
| TPSA: | 9.23 | NumAromaticRings: | 0 |
