Glycoside
GD025633
Name:
NoneFormula:
C36H58O10Smiles:
C[C@H](CCC(=O)C(C)(C)O)[C@@H]1CC[C@]2(C(=O)O)[C@@H]3CCC4=C(CC[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)C4(C)C)C[C@H]3CC[C@]12CAglycone:
CC(CCC(=O)C(C)(C)O)C1CCC2(C(=O)O)C3CCC4=C(CCC(O)C4(C)C)CC3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 9 |
| MolWt: | 650.85 | Num_heavy_atoms: | 46 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD16975
Formula: C30H48O5
Smiles:
CC(CCC(=O)C(C)(C)O)C1CCC2(C(=O)O)C3CCC4=C(CCC(O)C4(C)C)CC3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 5.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
