Glycoside
GD146707
Name:
Celeroside BFormula:
C21H36O8Smiles:
CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC23COC(C)(CCC2O)C3C1Aglycone:
CC(C)(O)C1CCC23COC(C)(CCC2O)C3C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 416.51 | Num_heavy_atoms: | 29 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD58806
Formula: C15H26O3
Smiles:
CC(C)(O)C1CCC23COC(C)(CCC2O)C3C1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.37 | Num_heavy_atoms: | 18 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
