Glycoside
GD020384
Name:
NoneFormula:
C25H22O9Cl2Smiles:
O=C(CCc1ccc2occc2c1)c1c(O)c(Cl)cc(Cl)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(CCc1ccc2occc2c1)c1c(O)c(Cl)cc(Cl)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 513.33 | Num_heavy_atoms: | 34 |
| TPSA: | 149.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD14081
Formula: C19H12O4Cl2
Smiles:
O=C(CCc1ccc2occc2c1)c1c(O)c(Cl)cc(Cl)c1O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 351.19 | Num_heavy_atoms: | 23 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
