Glycoside
GD026861
Name:
NoneFormula:
C24H20O7N6Cl2Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)COC2=C(c3ccc(Cl)cc3Cl)C(=O)OC2)[C@H](O)[C@H]1OAglycone:
CNC(=O)COC1=C(c2ccc(Cl)cc2Cl)C(=O)OC1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 551.34 | Num_heavy_atoms: | 37 |
| TPSA: | 183.94 | NumAromaticRings: | 3 |
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 |
AD17687
Formula: C15H11O4NCl2
Smiles:
CNC(=O)COC1=C(c2ccc(Cl)cc2Cl)C(=O)OC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 316.14 | Num_heavy_atoms: | 20 |
| TPSA: | 64.63 | NumAromaticRings: | 1 |
