Glycoside
GD097913
Name:
NoneFormula:
C18H20O6N3BrSmiles:
Nc1ncccc1N(Cc1cccc(Br)c1)C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
Nc1ncccc1NCc1cccc(Br)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.28 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 8 |
| MolWt: | 454.28 | Num_heavy_atoms: | 28 |
| TPSA: | 157.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD41647
Formula: C12H12N3Br
Smiles:
Nc1ncccc1NCc1cccc(Br)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 278.15 | Num_heavy_atoms: | 16 |
| TPSA: | 50.94 | NumAromaticRings: | 2 |
