Glycoside
GD002092
Name:
FRAXINUACIDOSIDEFormula:
C25H38O9Smiles:
CC1=C[C@H](C2=C(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C2(C)C)[C@H](C=C(C)C(=O)O)OC1Aglycone:
CC1=CC(C2=C(C)CCC(O)C2(C)C)C(C=C(C)C(=O)O)OC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 482.57 | Num_heavy_atoms: | 34 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD02027
Formula: C19H28O4
Smiles:
CC1=CC(C2=C(C)CCC(O)C2(C)C)C(C=C(C)C(=O)O)OC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.63 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 320.43 | Num_heavy_atoms: | 23 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
