Glycoside
GD157221
Name:
Celeroside AFormula:
C21H34O9Smiles:
CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC23C(=O)OC(C)(CCC2O)C3C1Aglycone:
CC(C)(O)C1CCC23C(=O)OC(C)(CCC2O)C3C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 430.49 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD62177
Formula: C15H24O4
Smiles:
CC(C)(O)C1CCC23C(=O)OC(C)(CCC2O)C3C1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 268.35 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
