Glycoside
GD024121
Name:
NoneFormula:
C13H14O5N5ClSmiles:
Nc1ncnc2c1ncn2C1O[C@H](C(=O)OCCCl)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=COCCClSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 343.73 | Num_heavy_atoms: | 23 |
| TPSA: | 145.61 | 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 |
AD16137
Formula: C4H5O2Cl
Smiles:
O=COCCCl| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 108.52 | Num_heavy_atoms: | 6 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
