Glycoside
GD014831
Name:
9Alpha-Hydroxyfraxinellone-9-O-Beta-D-GlucosideFormula:
C20H26O9Smiles:
CC1=C2C(=O)O[C@H](c3ccoc3)[C@@]2(C)CC[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1=C2C(=O)OC(c3ccoc3)C2(C)CCC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 410.42 | Num_heavy_atoms: | 29 |
| TPSA: | 138.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD10862
Formula: C14H16O4
Smiles:
CC1=C2C(=O)OC(c3ccoc3)C2(C)CCC1O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 248.28 | Num_heavy_atoms: | 18 |
| TPSA: | 59.67 | NumAromaticRings: | 1 |
