Glycoside
GD154379
Name:
15,16-Epoxy-6-Hydroxy-19-Nor-4,13(16),14-Clerodatrien-17,12-Olid-18-Oic Acid; (6α,8α,12αH)-Form, O-β-D-Glucopyranoside, Me EsterFormula:
C26H34O11Smiles:
COC(=O)C1=C2C(OC3OC(CO)C(O)C(O)C3O)CC3C(=O)OC(c4ccoc4)CC3(C)C2CCC1Aglycone:
COC(=O)C1=C2C(O)CC3C(=O)OC(c4ccoc4)CC3(C)C2CCC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 522.55 | Num_heavy_atoms: | 37 |
| TPSA: | 165.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD55350
Formula: C20H24O6
Smiles:
COC(=O)C1=C2C(O)CC3C(=O)OC(c4ccoc4)CC3(C)C2CCC1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 360.41 | Num_heavy_atoms: | 26 |
| TPSA: | 85.97 | NumAromaticRings: | 1 |
