Glycoside
GD033689
Name:
NoneFormula:
C22H25O7BrSmiles:
Cc1c(Br)cc([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc2c(c1)OCCO2Aglycone:
Cc1c(Br)cccc1Cc1ccc2c(c1)OCCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 481.34 | Num_heavy_atoms: | 30 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD21482
Formula: C16H15O2Br
Smiles:
Cc1c(Br)cccc1Cc1ccc2c(c1)OCCO2| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 319.2 | Num_heavy_atoms: | 19 |
| TPSA: | 18.46 | NumAromaticRings: | 2 |
