Glycoside
GD097740
Name:
NoneFormula:
C12H14O7N2Br2Smiles:
COc1cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c(Br)nc1BrAglycone:
COc1cc(N)c(Br)nc1BrSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 458.06 | Num_heavy_atoms: | 23 |
| TPSA: | 149.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD41607
Formula: C6H6ON2Br2
Smiles:
COc1cc(N)c(Br)nc1Br| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 281.94 | Num_heavy_atoms: | 11 |
| TPSA: | 48.14 | NumAromaticRings: | 1 |
