Glycoside
GD019426
Name:
Chloranthalactone E 8-O-Beta-D-GlucopyranosideFormula:
C21H28O9Smiles:
C=C1[C@@H]2CC3=C(C)C(=O)O[C@@]3(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@]2(C)[C@@H]2C[C@@H]12Aglycone:
C=C1C2CC2C2(C)C1CC1=C(C)C(=O)OC1(O)C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 424.45 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD13561
Formula: C15H18O4
Smiles:
C=C1C2CC2C2(C)C1CC1=C(C)C(=O)OC1(O)C2O| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 262.3 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
