Glycoside
GD081216
Name:
NoneFormula:
C13H15O8N2BrSmiles:
COC(=O)c1cc(Br)cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)n1Aglycone:
COC(=O)c1cc(Br)cc(N)n1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 407.17 | Num_heavy_atoms: | 24 |
| TPSA: | 166.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD36622
Formula: C7H7O2N2Br
Smiles:
COC(=O)c1cc(Br)cc(N)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 231.05 | Num_heavy_atoms: | 12 |
| TPSA: | 65.21 | NumAromaticRings: | 1 |
