Glycoside
GD092265
Name:
Cichorioside NFormula:
C21H32O9Smiles:
C=C[C@]1(C)C[C@H](O)[C@H]2[C@@H](C)C(=O)O[C@@H]2[C@@H]1/C(C)=C/O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OAglycone:
C=CC1(C)CC(O)C2C(C)C(=O)OC2C1C(C)=COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 428.48 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD40264
Formula: C15H22O4
Smiles:
C=CC1(C)CC(O)C2C(C)C(=O)OC2C1C(C)=CO| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 266.34 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
