Glycoside
GD003511
Name:
NoneFormula:
C26H24O4N6Cl2Smiles:
Nc1ncnc2c1nc(NCc1ccc(Cl)c(Cl)c1)n2[C@@H]1O[C@H](COCc2ccccc2)[C@H](O)[C@H]1OAglycone:
COCc1ccccc1.Nc1ncnc2c1N=C(NCc1ccc(Cl)c(Cl)c1)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 531.4 | Num_heavy_atoms: | 36 |
| TPSA: | 140.57 | NumAromaticRings: | 4 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD02825
Formula: C14H9N6Cl2
Smiles:
Nc1ncnc2c1N=C(NCc1ccc(Cl)c(Cl)c1)[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 308.15 | Num_heavy_atoms: | 20 |
| TPSA: | 90.29 | NumAromaticRings: | 2 |
