Glycoside
GD153841
Name:
methyl 9-[2-(furan-3-yl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl]-9,12-dimethyl-3-oxo-2-oxatricyclo[6.3.1.0â´,¹²]dodec-4-ene-10-carboxylateFormula:
C27H36O11Smiles:
COC(=O)C1CC2OC(=O)C3=CCCC(C1(C)CC(OC1OC(CO)C(O)C(O)C1O)c1ccoc1)C32CAglycone:
COC(=O)C1CC2OC(=O)C3=CCCC(C1(C)CC(O)c1ccoc1)C32CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 536.57 | Num_heavy_atoms: | 38 |
| TPSA: | 165.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD50570
Formula: C21H26O6
Smiles:
COC(=O)C1CC2OC(=O)C3=CCCC(C1(C)CC(O)c1ccoc1)C32C| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 374.43 | Num_heavy_atoms: | 27 |
| TPSA: | 85.97 | NumAromaticRings: | 1 |
