Glycoside
GD085901
Name:
NoneFormula:
C21H24O8Smiles:
CC(C)=C/C=C1\C(=O)c2ccccc2C(=O)[C@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1OAglycone:
CC(C)=CC=C1C(=O)c2ccccc2C(=O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 404.42 | Num_heavy_atoms: | 29 |
| TPSA: | 133.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD38241
Formula: C15H14O3
Smiles:
CC(C)=CC=C1C(=O)c2ccccc2C(=O)C1O| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 242.27 | Num_heavy_atoms: | 18 |
| TPSA: | 54.37 | NumAromaticRings: | 1 |
