Glycoside
GD081934
Name:
NoneFormula:
C13H12O6N4ClBrSmiles:
O=C(Nc1cnc2c(Cl)nc(Br)cn12)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
Nc1cnc2c(Cl)nc(Br)cn12Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 423.61 | Num_heavy_atoms: | 24 |
| TPSA: | 157.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD36799
Formula: C7H4N4ClBr
Smiles:
Nc1cnc2c(Cl)nc(Br)cn12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 0 |
| MolWt: | 247.48 | Num_heavy_atoms: | 12 |
| TPSA: | 56.21 | NumAromaticRings: | 2 |
