Glycoside
GD125066
Name:
methyl 9-[2-(furan-3-yl)-2-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}ethyl]-9,12-dimethyl-3-oxo-2-oxatricyclo[6.3.1.0â´,¹²]dodec-4-ene-10-carboxylateFormula:
C33H46O16Smiles:
COC(=O)C1CC2OC(=O)C3=CCCC(C1(C)CC(OC1OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C1O)c1ccoc1)C32CAglycone:
COC(=O)C1CC2OC(=O)C3=CCCC(C1(C)CC(O)c1ccoc1)C32CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.76 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 10 |
| MolWt: | 698.72 | Num_heavy_atoms: | 49 |
| TPSA: | 244.27 | 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 |
