Glycoside
GD133305
Name:
15,16-Epoxy-4-Hydroxy-18-Nor-2,13(16),14-Clerodatrien-17,12-Olide; (4α,5α,8βH,12αH)-Form, 4-O-β-D-GlucopyranosideFormula:
C25H34O9Smiles:
CC12CCC3C(=O)OC(c4ccoc4)CC3(C)C1CC=CC2OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CCC3C(=O)OC(c4ccoc4)CC3(C)C1CC=CC2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 478.54 | Num_heavy_atoms: | 34 |
| TPSA: | 138.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD53959
Formula: C19H24O4
Smiles:
CC12CCC3C(=O)OC(c4ccoc4)CC3(C)C1CC=CC2O| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.63 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 316.4 | Num_heavy_atoms: | 23 |
| TPSA: | 59.67 | NumAromaticRings: | 1 |
