Glycoside
GD102326
Name:
NoneFormula:
C18H18O7N5BrSmiles:
COc1ccc(OC(=O)Nc2ncnc3c2nc(Br)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
COc1ccc(OC(=O)Nc2ncnc3c2N=C(Br)[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 496.27 | Num_heavy_atoms: | 31 |
| TPSA: | 161.08 | NumAromaticRings: | 3 |
Unique Aglycone
AD43307
Formula: C13H9O3N5Br
Smiles:
COc1ccc(OC(=O)Nc2ncnc3c2N=C(Br)[N]3)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 363.15 | Num_heavy_atoms: | 22 |
| TPSA: | 99.8 | NumAromaticRings: | 2 |
