Glycoside
GD001558
Name:
TARENNINFormula:
C26H32O14Smiles:
COc1cc(C=CC(=O)O[C@@H]2C[C@@](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)ccc1OAglycone:
COc1cc(C=CC(=O)OC2CC(C)(O)C3C(O)OC=C(C(=O)O)C23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 8 |
| MolWt: | 568.53 | Num_heavy_atoms: | 40 |
| TPSA: | 221.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD01553
Formula: C20H22O9
Smiles:
COc1cc(C=CC(=O)OC2CC(C)(O)C3C(O)OC=C(C(=O)O)C23)ccc1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 406.39 | Num_heavy_atoms: | 29 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
