Glycoside
GD158204
Name:
15,16-Epoxy-4-Hydroxy-18-Nor-1-Oxo-2,13(16),14-Clerodatrien-17,12-Olide; (4α,5α,8βH,12αH)-Form, 4-O-β-D-GlucopyranosideFormula:
C25H32O10Smiles:
CC12CCC3C(=O)OC(c4ccoc4)CC3(C)C1C(=O)C=CC2OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CCC3C(=O)OC(c4ccoc4)CC3(C)C1C(=O)C=CC2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 492.52 | Num_heavy_atoms: | 35 |
| TPSA: | 155.89 | NumAromaticRings: | 1 |
Unique Aglycone
AD62469
Formula: C19H22O5
Smiles:
CC12CCC3C(=O)OC(c4ccoc4)CC3(C)C1C(=O)C=CC2O| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 330.38 | Num_heavy_atoms: | 24 |
| TPSA: | 76.74 | NumAromaticRings: | 1 |
