Glycoside
GD091315
Name:
NoneFormula:
C14H18O7N5BrSmiles:
COCCOC(=O)Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
COCCOC(=O)Nc1ncnc2c1N=C(Br)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.23 | Num_heavy_atoms: | 27 |
| TPSA: | 161.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD39834
Formula: C9H9O3N5Br
Smiles:
COCCOC(=O)Nc1ncnc2c1N=C(Br)[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 315.11 | Num_heavy_atoms: | 18 |
| TPSA: | 99.8 | NumAromaticRings: | 1 |
