Glycoside
GD092406
Name:
NoneFormula:
C16H22O5N5BrSmiles:
C=CCC[C@H](O)CNc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
C=CCCC(O)CNc1ncnc2c1N=C(Br)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 444.29 | Num_heavy_atoms: | 27 |
| TPSA: | 145.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD40320
Formula: C11H13ON5Br
Smiles:
C=CCCC(O)CNc1ncnc2c1N=C(Br)[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 311.16 | Num_heavy_atoms: | 18 |
| TPSA: | 84.5 | NumAromaticRings: | 1 |
