Glycoside
GD157526
Name:
3,6,9-trimethyl-2-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-6-yl acetateFormula:
C23H34O10Smiles:
CC(=O)OC1(C)CC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(=O)OC2C2C(C)=CCC21Aglycone:
CC(=O)OC1(C)CC(O)C2C(C)C(=O)OC2C2C(C)=CCC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 470.52 | Num_heavy_atoms: | 33 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD62271
Formula: C17H24O5
Smiles:
CC(=O)OC1(C)CC(O)C2C(C)C(=O)OC2C2C(C)=CCC21| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.76 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 308.37 | Num_heavy_atoms: | 22 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
