Glycoside
GD011182
Name:
NoneFormula:
C36H54O21Smiles:
CCO[C@@H]1C[C@@H]2C(C(=O)OC)=CO[C@H](O[C@@H]3O[C@H](CO[C@@H]4C[C@@H]5C(C(=O)OC)=CO[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H]5[C@H](C)O4)[C@H](O)[C@H](O)[C@H]3O)[C@H]2[C@H](C)O1Aglycone:
CCOC1CC2C(C(=O)OC)=COC(O)C2C(C)O1.COC(=O)C1=COC(O)C2C(C)OC(OC)CC12Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | -2.76 | Num_rotatable_bonds: | 12 |
| MolWt: | 822.81 | Num_heavy_atoms: | 57 |
| TPSA: | 286.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD06625
Formula: C12H18O6
Smiles:
COC(=O)C1=COC(O)C2C(C)OC(OC)CC12| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 258.27 | Num_heavy_atoms: | 18 |
| TPSA: | 74.22 | NumAromaticRings: | 0 |
AD08571
Formula: C13H20O6
Smiles:
CCOC1CC2C(C(=O)OC)=COC(O)C2C(C)O1| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 272.3 | Num_heavy_atoms: | 19 |
| TPSA: | 74.22 | NumAromaticRings: | 0 |
