Glycoside
GD006262
Name:
NoneFormula:
C26H32O12Smiles:
COc1ccc(C=CC(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1OCAglycone:
COC(C)=O.COc1ccc(C=CC(C)=O)cc1OCSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 11 |
| MolWt: | 536.53 | Num_heavy_atoms: | 38 |
| TPSA: | 149.96 | 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 |
AD03034
Formula: C12H14O3
Smiles:
COc1ccc(C=CC(C)=O)cc1OC| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 206.24 | Num_heavy_atoms: | 15 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
