Glycoside
GD119506
Name:
8-methyl-6-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,8H,8aH-pyrano[3,4-c]pyran-4-yl acetateFormula:
C17H24O11Smiles:
CC(=O)OC1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)OC(=O)CC12Aglycone:
CC(=O)OC1=COC(O)C2C(C)OC(=O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 404.37 | Num_heavy_atoms: | 28 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD47893
Formula: C11H14O6
Smiles:
CC(=O)OC1=COC(O)C2C(C)OC(=O)CC12| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 242.23 | Num_heavy_atoms: | 17 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
