Glycoside
GD106545
Name:
2',7,10-Triacetylsuspensolide FFormula:
C27H40O15Smiles:
CC(=O)OC[C@@]1(O)[C@@H](OC(C)=O)C[C@@H]2C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(C)=O)=CO[C@@H](OC(=O)CC(C)C)[C@@H]21Aglycone:
CC(=O)OCC1(O)C(OC(C)=O)CC2C(CO)=COC(OC(=O)CC(C)C)C21Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 11 |
| MolWt: | 604.6 | Num_heavy_atoms: | 42 |
| TPSA: | 213.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD44186
Formula: C19H28O9
Smiles:
CC(=O)OCC1(O)C(OC(C)=O)CC2C(CO)=COC(OC(=O)CC(C)C)C21| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 400.42 | Num_heavy_atoms: | 28 |
| TPSA: | 128.59 | NumAromaticRings: | 0 |
