Glycoside
GD080938
Name:
NoneFormula:
C13H18O5N5BrSmiles:
C[C@H](O)CNc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CC(O)CNc1ncnc2c1N=C(Br)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 404.22 | Num_heavy_atoms: | 24 |
| TPSA: | 145.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD36541
Formula: C8H9ON5Br
Smiles:
CC(O)CNc1ncnc2c1N=C(Br)[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 3 |
| MolWt: | 271.1 | Num_heavy_atoms: | 15 |
| TPSA: | 84.5 | NumAromaticRings: | 1 |
