Glycoside
GD108758
Name:
NoneFormula:
C27H25O5N8BrSmiles:
Nc1ncnc2c1[nH]/c(=N\N=C1/C(=O)c3cc(Br)ccc3N1C/C=C/c1ccccc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
Nc1ncnc2c1NC(=NN=C1C(=O)c3cc(Br)ccc3N1CC=Cc1ccccc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.22 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 621.45 | Num_heavy_atoms: | 41 |
| TPSA: | 187.47 | NumAromaticRings: | 4 |
Unique Aglycone
AD44481
Formula: C22H16ON8Br
Smiles:
Nc1ncnc2c1NC(=NN=C1C(=O)c3cc(Br)ccc3N1CC=Cc1ccccc1)[N]2| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.05 |
| AlogP: | 3.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 488.33 | Num_heavy_atoms: | 32 |
| TPSA: | 122.96 | NumAromaticRings: | 3 |
