Glycoside
GD111244
Name:
NoneFormula:
C26H44O10Smiles:
CC(C)(C)C(=O)OC[C@@H](O)[C@@H]1O[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)CAglycone:
CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)OCCOSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 516.63 | Num_heavy_atoms: | 36 |
| TPSA: | 134.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD03091
Formula: C5H10O2
Smiles:
CC(C)(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD44702
Formula: C7H14O3
Smiles:
CC(C)(C)C(=O)OCCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 146.19 | Num_heavy_atoms: | 10 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
