Glycoside
GD081839
Name:
NoneFormula:
C12H14O8N3BrSmiles:
COC(=O)c1nc(Br)cnc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
COC(=O)c1nc(Br)cnc1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -2.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 408.16 | Num_heavy_atoms: | 24 |
| TPSA: | 179.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD36777
Formula: C6H6O2N3Br
Smiles:
COC(=O)c1nc(Br)cnc1N| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 232.04 | Num_heavy_atoms: | 12 |
| TPSA: | 78.1 | NumAromaticRings: | 1 |
