Glycoside
GD019116
Name:
NoneFormula:
C16H15O5N5Cl2Smiles:
Nc1ncnc2c1ncn2C1O[C@H](CC(=O)OC2CC2(Cl)Cl)[C@H](O)[C@H]1OAglycone:
CC(=O)OC1CC1(Cl)Cl.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 404.21 | Num_heavy_atoms: | 26 |
| 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 |
AD13388
Formula: C7H6O2Cl2
Smiles:
CC(=O)OC1CC1(Cl)Cl| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 169.01 | Num_heavy_atoms: | 9 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
