Glycoside
GD095662
Name:
NoneFormula:
C21H30O11Smiles:
C[C@H]1C[C@H]2O[C@@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C[C@@](C)([C@]34CO4)[C@@]2(CO)C(=O)C1=OAglycone:
CC1CC2OC3C(O)CC(C)(C34CO4)C2(CO)C(=O)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | -2.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 458.46 | Num_heavy_atoms: | 32 |
| TPSA: | 175.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD40793
Formula: C15H20O6
Smiles:
CC1CC2OC3C(O)CC(C)(C34CO4)C2(CO)C(=O)C1=O| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 296.32 | Num_heavy_atoms: | 21 |
| TPSA: | 96.36 | NumAromaticRings: | 0 |
