Glycoside
GD123259
Name:
1,10-Epoxy-14-Hydroxyhypocretenolide Beta-D-GlucopyranosideFormula:
C21H26O10Smiles:
C=C1C(=O)OC23CC1CCC1(COC4OC(CO)C(O)C(O)C4O)OC12C(=O)C=C3CAglycone:
C=C1C(=O)OC23CC1CCC1(CO)OC12C(=O)C=C3CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 438.43 | Num_heavy_atoms: | 31 |
| TPSA: | 155.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD49720
Formula: C15H16O5
Smiles:
C=C1C(=O)OC23CC1CCC1(CO)OC12C(=O)C=C3C| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 276.29 | Num_heavy_atoms: | 20 |
| TPSA: | 76.13 | NumAromaticRings: | 0 |
