Glycoside
GD075674
Name:
NoneFormula:
C13H19O6N3BrSmiles:
[NH3+]CC/N=c1\ccc(Br)cn1C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
[NH3+]CCN=c1ccc(Br)c[nH]1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -3.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 393.21 | Num_heavy_atoms: | 23 |
| TPSA: | 159.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD35055
Formula: C7H11N3Br
Smiles:
[NH3+]CCN=c1ccc(Br)c[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 217.09 | Num_heavy_atoms: | 11 |
| TPSA: | 55.79 | NumAromaticRings: | 1 |
