Glycoside
GD015147
Name:
14-Hydroxyhypocretenolide-Beta-D-GlucopyranosideFormula:
C21H26O9Smiles:
C=C1C(=O)O[C@@]23C[C@H]1CCC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)=C2C(=O)C=C3CAglycone:
C=C1C(=O)OC23CC1CCC(CO)=C2C(=O)C=C3CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 422.43 | Num_heavy_atoms: | 30 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD10218
Formula: C15H16O4
Smiles:
C=C1C(=O)OC23CC1CCC(CO)=C2C(=O)C=C3C| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 260.29 | Num_heavy_atoms: | 19 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
