Glycoside
GD117156
Name:
6-AcetylantirrinosideFormula:
C17H24O11Smiles:
CC(=O)OC1C2OC2(C)C2C(OC3OC(CO)C(O)C(O)C3O)OC=CC12OAglycone:
CC(=O)OC1C2OC2(C)C2C(O)OC=CC12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | -2.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 404.37 | Num_heavy_atoms: | 28 |
| TPSA: | 167.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD46665
Formula: C11H14O6
Smiles:
CC(=O)OC1C2OC2(C)C2C(O)OC=CC12O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 242.23 | Num_heavy_atoms: | 17 |
| TPSA: | 88.52 | NumAromaticRings: | 0 |
