Glycoside
GD103281
Name:
NoneFormula:
C18H19O6N6BrSmiles:
COc1ccccc1NC(=O)Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
COc1ccccc1NC(=O)Nc1ncnc2c1N=C(Br)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 495.29 | Num_heavy_atoms: | 31 |
| TPSA: | 163.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD43705
Formula: C13H10O2N6Br
Smiles:
COc1ccccc1NC(=O)Nc1ncnc2c1N=C(Br)[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 362.17 | Num_heavy_atoms: | 22 |
| TPSA: | 102.6 | NumAromaticRings: | 2 |
