Glycoside
GD097812
Name:
NoneFormula:
C18H22O8NBrSmiles:
CCOC(=O)[C@@H]1c2ccc(Br)cc2CCN1C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
CCOC(=O)C1NCCc2cc(Br)ccc21Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 7 |
| MolWt: | 460.28 | Num_heavy_atoms: | 28 |
| TPSA: | 144.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD41623
Formula: C12H14O2NBr
Smiles:
CCOC(=O)C1NCCc2cc(Br)ccc21| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.15 | Num_heavy_atoms: | 16 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
