Glycoside
GD102310
Name:
NoneFormula:
C16H22O6N5BrSmiles:
CC(C)(C)COC(=O)Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CC(C)(C)COC(=O)Nc1ncnc2c1N=C(Br)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 460.29 | Num_heavy_atoms: | 28 |
| TPSA: | 151.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD43301
Formula: C11H13O2N5Br
Smiles:
CC(C)(C)COC(=O)Nc1ncnc2c1N=C(Br)[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 327.16 | Num_heavy_atoms: | 19 |
| TPSA: | 90.57 | NumAromaticRings: | 1 |
