Glycoside
GD001096
Name:
2''-AcetylsebotinFormula:
C24H28O11Smiles:
COc1cc(O)c(C(=O)CCc2ccc(O)cc2)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2OC(C)=O)c1Aglycone:
COc1cc(O)c(C(=O)CCc2ccc(O)cc2)c(O)c1Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 492.48 | Num_heavy_atoms: | 35 |
| TPSA: | 172.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD01143
Formula: C16H16O5
Smiles:
COc1cc(O)c(C(=O)CCc2ccc(O)cc2)c(O)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.3 | Num_heavy_atoms: | 21 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
