Glycoside
GD117469
Name:
3-amino-6-{[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}piperidin-2-oneFormula:
C15H21O4N7Smiles:
Nc1ncnc2c1ncn2C1OC(CC2CCC(N)C(O)=N2)C(O)C1OAglycone:
CC1CCC(N)C(O)=N1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 363.38 | Num_heavy_atoms: | 26 |
| TPSA: | 177.92 | 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 |
AD46838
Formula: C6H12ON2
Smiles:
CC1CCC(N)C(O)=N1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 128.17 | Num_heavy_atoms: | 9 |
| TPSA: | 58.61 | NumAromaticRings: | 0 |
