Glycoside
GD037865
Name:
5'-o-(2-amino-2-oxoethyl)-8-(methylamino)adenosineFormula:
C13H19O5N7Smiles:
CNc1nc2c(N)ncnc2n1[C@H]1O[C@H](COCC(N)=O)[C@H](O)[C@@H]1OAglycone:
CNC1=Nc2c(N)ncnc2[N]1.COCC(N)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -2.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 353.34 | Num_heavy_atoms: | 25 |
| TPSA: | 183.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD03690
Formula: C6H7N6
Smiles:
CNC1=Nc2c(N)ncnc2[N]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 0 |
| MolWt: | 163.16 | Num_heavy_atoms: | 12 |
| TPSA: | 90.29 | NumAromaticRings: | 1 |
AD05979
Formula: C3H7O2N
Smiles:
COCC(N)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 89.09 | Num_heavy_atoms: | 6 |
| TPSA: | 52.32 | NumAromaticRings: | 0 |
