Glycoside
GD013014
Name:
ACANTHOSESSILIOSIDE EFormula:
C36H56O11Smiles:
C=C(C)[C@@H]1C[C@H](O)[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)[C@H](CC(=O)O)OC(C)(C)[C@H]5CC[C@]43C)[C@H]12Aglycone:
C=C(C)C1CC(O)C2(C(=O)O)CCC3(C)C(CCC4C5(C)C(CC(=O)O)OC(C)(C)C5CCC43C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 664.83 | Num_heavy_atoms: | 47 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD09764
Formula: C30H46O6
Smiles:
C=C(C)C1CC(O)C2(C(=O)O)CCC3(C)C(CCC4C5(C)C(CC(=O)O)OC(C)(C)C5CCC43C)C12| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 5.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 502.69 | Num_heavy_atoms: | 36 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
