Glycoside
GD026366
Name:
NoneFormula:
C26H32O10Br2Smiles:
COc1cc(OCCCBr)c(C(=O)c2ccc(OCCCBr)cc2)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
COc1cc(O)c(C(=O)c2ccc(OCCCBr)cc2)c(OCCCBr)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 14 |
| MolWt: | 664.34 | Num_heavy_atoms: | 38 |
| TPSA: | 144.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD17387
Formula: C20H22O5Br2
Smiles:
COc1cc(O)c(C(=O)c2ccc(OCCCBr)cc2)c(OCCCBr)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 4.96 | Num_rotatable_bonds: | 11 |
| MolWt: | 502.2 | Num_heavy_atoms: | 27 |
| TPSA: | 64.99 | NumAromaticRings: | 2 |
