Glycoside
GD126095
Name:
Epikingisidic AcidFormula:
C16H22O11Smiles:
CC1OC(=O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC1OC(=O)CC2C(C(=O)O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.34 | Num_heavy_atoms: | 27 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD03047
Formula: C10H12O6
Smiles:
CC1OC(=O)CC2C(C(=O)O)=COC(O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 228.2 | Num_heavy_atoms: | 16 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
