Glycoside
GD035193
Name:
NoneFormula:
C24H24O7NBrSmiles:
CC1(C)c2cc(OC[C@H](O)[C@H](O)CO)ccc2C(=O)c2c1n(CC(=O)O)c1cc(Br)ccc21Aglycone:
CC1(C)c2ccccc2C(=O)c2c1n(CC(=O)O)c1cc(Br)ccc21Sugarmoiety:
OCC(O)C(O)COOOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 518.36 | Num_heavy_atoms: | 33 |
| TPSA: | 129.22 | NumAromaticRings: | 3 |
Unique Aglycone
AD22281
Formula: C20H16O3NBr
Smiles:
CC1(C)c2ccccc2C(=O)c2c1n(CC(=O)O)c1cc(Br)ccc21| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 4.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 398.26 | Num_heavy_atoms: | 25 |
| TPSA: | 59.3 | NumAromaticRings: | 3 |
