Glycoside
GD025717
Name:
NoneFormula:
C24H25O9ClSmiles:
O=C(CCc1ccc2c(c1)OCCO2)c1c(Cl)cccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(CCc1ccc2c(c1)OCCO2)c1c(O)cccc1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 480.9 | Num_heavy_atoms: | 33 |
| TPSA: | 134.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD17022
Formula: C18H15O4Cl
Smiles:
O=C(CCc1ccc2c(c1)OCCO2)c1c(O)cccc1Cl| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 318.76 | Num_heavy_atoms: | 22 |
| TPSA: | 55.76 | NumAromaticRings: | 2 |
