Glycoside
GD075586
Name:
NoneFormula:
C13H15O5N4BrSmiles:
OC[C@H]1O[C@H](O)[C@H](Nc2ncnc3cc(Br)cnc23)[C@@H](O)[C@@H]1OAglycone:
Nc1ncnc2cc(Br)cnc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 387.19 | Num_heavy_atoms: | 23 |
| TPSA: | 140.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD35021
Formula: C7H5N4Br
Smiles:
Nc1ncnc2cc(Br)cnc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 0 |
| MolWt: | 225.05 | Num_heavy_atoms: | 12 |
| TPSA: | 64.69 | NumAromaticRings: | 2 |
