Glycoside
GD027174
Name:
NoneFormula:
C28H34O14Smiles:
COc1ccc(C=CC(=O)O[C@@H]2C[C@@](C)(OC(C)=O)[C@@H]3[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)OC=C(C(=O)O)[C@@H]23)cc1Aglycone:
COc1ccc(C=CC(=O)OC2CC(C)(OC(C)=O)C3C(O)OC=C(C(=O)O)C23)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 594.57 | Num_heavy_atoms: | 42 |
| TPSA: | 207.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD17883
Formula: C22H24O9
Smiles:
COc1ccc(C=CC(=O)OC2CC(C)(OC(C)=O)C3C(O)OC=C(C(=O)O)C23)cc1| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.41 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 432.43 | Num_heavy_atoms: | 31 |
| TPSA: | 128.59 | NumAromaticRings: | 1 |
