Glycoside
GD037553
Name:
NoneFormula:
C36H58O8Smiles:
CC(C)=CCC[C@@](C)(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)[C@H]1C(=O)C[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]12CAglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(=O)C(C)(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 4.74 | Num_rotatable_bonds: | 7 |
| MolWt: | 618.85 | Num_heavy_atoms: | 44 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD23640
Formula: C30H48O3
Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(=O)C(C)(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 6.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
