Glycoside
GD092439
Name:
NoneFormula:
C18H20O6NBrSmiles:
CC(=O)N[C@H]1[C@H](Oc2ccc3cc(Br)ccc3c2)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
Oc1ccc2cc(Br)ccc2c1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 426.26 | Num_heavy_atoms: | 26 |
| TPSA: | 108.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD08664
Formula: C10H7OBr
Smiles:
Oc1ccc2cc(Br)ccc2c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 223.07 | Num_heavy_atoms: | 12 |
| TPSA: | 20.23 | NumAromaticRings: | 2 |
