Glycoside
GD153534
Name:
methyl 8-[2-(3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl]-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.0²,â·]dodec-3-ene-3-carboxylateFormula:
C29H44O15Smiles:
COC(=O)C1=CCCC2C(C)(CC(OC3OC(CO)C(O)C(O)C3O)C3(O)C(OC)OC(OC)C3O)C3CC(OC3=O)C12CAglycone:
COC(=O)C1=CCCC2C(C)(CCO)C3CC(OC3=O)C12CSugarmoiety:
COC1OC(OC)C(O)(OOC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 9 |
| MolWt: | 632.66 | Num_heavy_atoms: | 44 |
| TPSA: | 220.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD55805
Formula: C17H24O5
Smiles:
COC(=O)C1=CCCC2C(C)(CCO)C3CC(OC3=O)C12C| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.76 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 308.37 | Num_heavy_atoms: | 22 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
