Glycoside
GD106817
Name:
NoneFormula:
C26H32O13Smiles:
CO[C@H]1O[C@@H](c2ccccc2O[C@@H]2O[C@H](CC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)CC(=O)[C@@H]1OAglycone:
COC1OC(c2ccccc2O)CC(=O)C1OSugarmoiety:
CC(=O)CC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 552.53 | Num_heavy_atoms: | 39 |
| TPSA: | 170.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD44223
Formula: C12H14O5
Smiles:
COC1OC(c2ccccc2O)CC(=O)C1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
