Glycoside
GD015854
Name:
ACANTHOSESSILIOSIDE BFormula:
C37H58O11Smiles:
C=C(C)[C@@H]1CC[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](C[C@H](O)[C@@H]4[C@]5(C)[C@H](CC(=O)OC)OC(C)(C)[C@H]5CC[C@]43C)[C@H]12Aglycone:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CC(O)C4C5(C)C(CC(=O)OC)OC(C)(C)C5CCC43C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 678.86 | Num_heavy_atoms: | 48 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD11469
Formula: C31H48O6
Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CC(O)C4C5(C)C(CC(=O)OC)OC(C)(C)C5CCC43C)C12| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 5.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 516.72 | Num_heavy_atoms: | 37 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
