Glycoside
GD101958
Name:
NoneFormula:
C17H25O5N6BrSmiles:
CCCCCCNC(=O)Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CCCCCCNC(=O)Nc1ncnc2c1N=C(Br)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 8 |
| MolWt: | 473.33 | Num_heavy_atoms: | 29 |
| TPSA: | 154.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD43166
Formula: C12H16ON6Br
Smiles:
CCCCCCNC(=O)Nc1ncnc2c1N=C(Br)[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 340.2 | Num_heavy_atoms: | 20 |
| TPSA: | 93.37 | NumAromaticRings: | 1 |
