Glycoside
GD108759
Name:
NoneFormula:
C25H23O5N8BrSmiles:
Nc1ncnc2c1[nH]/c(=N\N=C1/C(=O)c3cc(Br)ccc3N1Cc1ccccc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
Nc1ncnc2c1NC(=NN=C1C(=O)c3cc(Br)ccc3N1Cc1ccccc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 595.41 | Num_heavy_atoms: | 39 |
| TPSA: | 187.47 | NumAromaticRings: | 4 |
Unique Aglycone
AD44482
Formula: C20H14ON8Br
Smiles:
Nc1ncnc2c1NC(=NN=C1C(=O)c3cc(Br)ccc3N1Cc1ccccc1)[N]2| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.05 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 462.29 | Num_heavy_atoms: | 30 |
| TPSA: | 122.96 | NumAromaticRings: | 3 |
