Glycoside
GD092726
Name:
NoneFormula:
C17H18O6N2ClBrSmiles:
CC(=O)N[C@@H]1[C@H](O)O[C@](Br)(CO)[C@](O)(Cl)[C@@]1(O)n1ccc2ccccc21Aglycone:
c1ccc2[nH]ccc2c1Sugarmoiety:
CC(=O)NC1C(O)OC(Br)(CO)C(O)(Cl)C1(O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 449.69 | Num_heavy_atoms: | 26 |
| TPSA: | 124.18 | NumAromaticRings: | 2 |
Unique Aglycone
AD05165
Formula: C8H7N
Smiles:
c1ccc2[nH]ccc2c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 117.15 | Num_heavy_atoms: | 9 |
| TPSA: | 15.79 | NumAromaticRings: | 2 |
