Glycoside
GD119673
Name:
Celerioside EFormula:
C20H36O8Smiles:
CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C(O)CCC(O)C2C1Aglycone:
CC(C)(O)C1CCC2(C)C(O)CCC(O)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 404.5 | Num_heavy_atoms: | 28 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD47992
Formula: C14H26O3
Smiles:
CC(C)(O)C1CCC2(C)C(O)CCC(O)C2C1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 242.36 | Num_heavy_atoms: | 17 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
