Glycoside
GD100874
Name:
NoneFormula:
C18H18O6N5BrSmiles:
Cc1cc(Nc2ncnc3c2nc(Br)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1C(=O)OAglycone:
Cc1cc(Nc2ncnc3c2N=C(Br)[N]3)ccc1C(=O)OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 480.28 | Num_heavy_atoms: | 30 |
| TPSA: | 162.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD42620
Formula: C13H9O2N5Br
Smiles:
Cc1cc(Nc2ncnc3c2N=C(Br)[N]3)ccc1C(=O)O| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 347.15 | Num_heavy_atoms: | 21 |
| TPSA: | 101.57 | NumAromaticRings: | 2 |
