Glycoside
GD081759
Name:
NoneFormula:
C15H18O7NBrSmiles:
O=C(C(=O)N1CCOc2ccc(Br)cc2C1)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
Brc1ccc2c(c1)CNCCO2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 404.21 | Num_heavy_atoms: | 24 |
| TPSA: | 127.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD36758
Formula: C9H10ONBr
Smiles:
Brc1ccc2c(c1)CNCCO2| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 228.09 | Num_heavy_atoms: | 12 |
| TPSA: | 21.26 | NumAromaticRings: | 1 |
