Glycoside
GD106965
Name:
methyl 2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,4H,6H,6aH,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-7-carboxylateFormula:
C27H34O11Smiles:
COC(=O)C1=CCC[C@H]2[C@]3(C)C[C@@H](c4ccoc4)OC(=O)C3=C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]12CAglycone:
COC(=O)C1=CCCC2C3(C)CC(c4ccoc4)OC(=O)C3=CC(O)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 534.56 | Num_heavy_atoms: | 38 |
| TPSA: | 165.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD44249
Formula: C21H24O6
Smiles:
COC(=O)C1=CCCC2C3(C)CC(c4ccoc4)OC(=O)C3=CC(O)C12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.52 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 372.42 | Num_heavy_atoms: | 27 |
| TPSA: | 85.97 | NumAromaticRings: | 1 |
