Glycoside
GD035492
Name:
NoneFormula:
C25H30O10Smiles:
CC(=O)OC[C@@H]1O[C@H](CC(=O)C=Cc2ccc(C)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
CC(=O)C=Cc1ccc(C)cc1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.48 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 9 |
| MolWt: | 490.51 | Num_heavy_atoms: | 35 |
| TPSA: | 131.5 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD22451
Formula: C11H12O
Smiles:
CC(=O)C=Cc1ccc(C)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 160.22 | Num_heavy_atoms: | 12 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
