Glycoside
GD032290
Name:
2'',6''-O-DiacetylonininFormula:
C26H26O11Smiles:
COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]4OC(C)=O)ccc3c2=O)cc1Aglycone:
COC(C)=O.COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 514.48 | Num_heavy_atoms: | 37 |
| TPSA: | 150.96 | NumAromaticRings: | 3 |
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 |
AD08007
Formula: C16H12O4
Smiles:
COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 268.27 | Num_heavy_atoms: | 20 |
| TPSA: | 59.67 | NumAromaticRings: | 3 |
