Glycoside
GD069548
Name:
NoneFormula:
C13H16O6NBrSmiles:
Cc1cccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c1BrAglycone:
Cc1cccc(N)c1BrSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 362.18 | Num_heavy_atoms: | 21 |
| TPSA: | 127.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD32976
Formula: C7H8NBr
Smiles:
Cc1cccc(N)c1Br| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 186.05 | Num_heavy_atoms: | 9 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
