Glycoside
GD088950
Name:
Cichorioside BFormula:
C21H28O10Smiles:
CC1=C2C(=O)C=C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1Aglycone:
CC1=C2C(=O)C=C(CO)C2C2OC(=O)C(C)C2C(O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -1.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 440.45 | Num_heavy_atoms: | 31 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD38889
Formula: C15H18O5
Smiles:
CC1=C2C(=O)C=C(CO)C2C2OC(=O)C(C)C2C(O)C1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 278.3 | Num_heavy_atoms: | 20 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
