Glycoside
GD019002
Name:
NoneFormula:
C23H28O9Smiles:
CC1=CC(=O)[C@@H]2C[C@@]1(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C2(C)COC(=O)c1ccccc1Aglycone:
CC1=CC(=O)C2CC1(O)C2(C)COC(=O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.47 | Num_heavy_atoms: | 32 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD13316
Formula: C17H18O4
Smiles:
CC1=CC(=O)C2CC1(O)C2(C)COC(=O)c1ccccc1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.41 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.33 | Num_heavy_atoms: | 21 |
| TPSA: | 63.6 | NumAromaticRings: | 1 |
