Glycoside
GD020567
Name:
ACANTHOSESSILIOSIDE AFormula:
C36H56O9Smiles:
C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]4[C@H](C(=C)C)CC[C@@]4(C(=O)O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)CC[C@]32C)[C@@]1(C)CCC(=O)OAglycone:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C(C)(CCC(=O)O)C(C(=C)C)CCC43C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 4.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 632.84 | Num_heavy_atoms: | 45 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD14187
Formula: C30H46O4
Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C(C)(CCC(=O)O)C(C(=C)C)CCC43C)C12| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 7.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
