Glycoside
GD007391
Name:
NoneFormula:
C37H54O16Smiles:
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]5C[C@H](O)CC[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)CC2CC(O)CCC21C.COc1ccc(C(=O)O)cc1Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 12 |
| MolWt: | 754.82 | Num_heavy_atoms: | 53 |
| TPSA: | 226.2 | 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 |
AD06025
Formula: C17H30O5
Smiles:
CC(C)COC(=O)C(C)C1(O)C(O)CC2CC(O)CCC21C| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 314.42 | Num_heavy_atoms: | 22 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
