Glycoside
GD014334
Name:
NoneFormula:
C12H15O5N4BrSmiles:
CN1C(Br)=C([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)C2=NC(N)=NC(=O)C21Aglycone:
CN1C(Br)=CC2=NC(N)=NC(=O)C21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 375.18 | Num_heavy_atoms: | 22 |
| TPSA: | 140.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD10550
Formula: C7H7ON4Br
Smiles:
CN1C(Br)=CC2=NC(N)=NC(=O)C21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 243.06 | Num_heavy_atoms: | 13 |
| TPSA: | 71.05 | NumAromaticRings: | 0 |
