Glycoside
GD007280
Name:
5ALPHA,6ALPHA-EPOXYCABENOSIDE DFormula:
C36H60O10Smiles:
C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@@H]3C[C@@H]4O[C@]45[C@H](CC[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C5(C)C)[C@@]3(C)C(=O)C[C@]12CAglycone:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CC4OC45C(CCC(O)C5(C)C)C3(C)C(=O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 8 |
| MolWt: | 652.87 | Num_heavy_atoms: | 46 |
| TPSA: | 169.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD05938
Formula: C30H50O5
Smiles:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CC4OC45C(CCC(O)C5(C)C)C3(C)C(=O)CC12C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 4.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 90.29 | NumAromaticRings: | 0 |
