Glycoside
GD090315
Name:
NoneFormula:
C17H20O6N3BrSmiles:
Cc1cnn(Cc2ccc(Br)cc2)c1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
Cc1cnn(Cc2ccc(Br)cc2)c1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 442.27 | Num_heavy_atoms: | 27 |
| TPSA: | 144.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD39316
Formula: C11H12N3Br
Smiles:
Cc1cnn(Cc2ccc(Br)cc2)c1N| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 266.14 | Num_heavy_atoms: | 15 |
| TPSA: | 43.84 | NumAromaticRings: | 2 |
