Glycoside
GD090402
Name:
NoneFormula:
C18H24O7NBrSmiles:
O=C(NC1(Cc2ccccc2Br)CCOCC1)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
NC1(Cc2ccccc2Br)CCOCC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 8 |
| MolWt: | 446.29 | Num_heavy_atoms: | 27 |
| TPSA: | 136.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD39339
Formula: C12H16ONBr
Smiles:
NC1(Cc2ccccc2Br)CCOCC1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 270.17 | Num_heavy_atoms: | 15 |
| TPSA: | 35.25 | NumAromaticRings: | 1 |
