Glycoside
GD153431
Name:
methyl 4-(furan-3-yl)-2,10-dimethyl-6-oxo-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,12-dioxatetracyclo[8.5.0.0²,â·.0¹¹,¹³]pentadecane-11-carboxylateFormula:
C27H36O12Smiles:
COC(=O)C12OC1CCC1C3(C)CC(c4ccoc4)OC(=O)C3CC(OC3OC(CO)C(O)C(O)C3O)C12CAglycone:
COC(=O)C12OC1CCC1C3(C)CC(c4ccoc4)OC(=O)C3CC(O)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 552.57 | Num_heavy_atoms: | 39 |
| TPSA: | 177.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD61020
Formula: C21H26O7
Smiles:
COC(=O)C12OC1CCC1C3(C)CC(c4ccoc4)OC(=O)C3CC(O)C12C| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 390.43 | Num_heavy_atoms: | 28 |
| TPSA: | 98.5 | NumAromaticRings: | 1 |
