Glycoside
GD004521
Name:
ACANTHOSESSILIOSIDE FFormula:
C36H54O11Smiles:
C=C(C)[C@@H]1CC[C@]2(C)[C@@H]3[C@H](C[C@@H]4[C@@H]5[C@H](C(=C)C)C[C@H](O)[C@@]5(C(=O)O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@]42C)OC(=O)C[C@H](O)[C@]13CAglycone:
C=C(C)C1CC(O)C2(C(=O)O)CCC3(C)C(CC4OC(=O)CC(O)C5(C)C(C(=C)C)CCC3(C)C45)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 662.82 | Num_heavy_atoms: | 47 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD03937
Formula: C30H44O6
Smiles:
C=C(C)C1CC(O)C2(C(=O)O)CCC3(C)C(CC4OC(=O)CC(O)C5(C)C(C(=C)C)CCC3(C)C45)C12| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 4.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 500.68 | Num_heavy_atoms: | 36 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
