Glycoside
GD109006
Name:
NoneFormula:
C24H22O9NBrSmiles:
COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1OAglycone:
COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 548.34 | Num_heavy_atoms: | 35 |
| TPSA: | 154.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD44509
Formula: C18H14O3NBr
Smiles:
COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 4.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 372.22 | Num_heavy_atoms: | 23 |
| TPSA: | 58.56 | NumAromaticRings: | 3 |
