Glycoside
GD025959
Name:
NoneFormula:
C37H54O15Smiles:
COc1ccc(C(=O)O[C@@H]2[C@H](O[C@@H]3[C@H](OC(C)=O)[C@H](O[C@@H]4C[C@@H]5CCCC[C@@]5(C)[C@@]4(O)[C@H](C)C(=O)OCC(C)C)OC[C@H]3O)OC[C@H](O)[C@H]2O)cc1Aglycone:
CC(C)COC(=O)C(C)C1(O)C(O)CC2CCCCC21C.COc1ccc(C(=O)O)cc1Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 12 |
| MolWt: | 738.82 | Num_heavy_atoms: | 52 |
| TPSA: | 205.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD01329
Formula: C8H8O3
Smiles:
COc1ccc(C(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD17152
Formula: C17H30O4
Smiles:
CC(C)COC(=O)C(C)C1(O)C(O)CC2CCCCC21C| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 298.42 | Num_heavy_atoms: | 21 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
