Glycoside
GD033221
Name:
NoneFormula:
C22H32O6Smiles:
CCOC1CC(O)(CCC2=C(C)C(=O)C(O)=C3C(C)(C)C(=O)CC[C@]23C)CO1Aglycone:
CCC1=C(C)C(=O)C(O)=C2C(C)(C)C(=O)CCC12CSugarmoiety:
CCOC1CC(O)(O)CO1Other Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 392.49 | Num_heavy_atoms: | 28 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD21222
Formula: C16H22O3
Smiles:
CCC1=C(C)C(=O)C(O)=C2C(C)(C)C(=O)CCC12C| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 262.35 | Num_heavy_atoms: | 19 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
