Glycoside
GD132835
Name:
methyl 6-methoxy-8-methyl-1-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1H,4aH,5H,6H,8H,8aH-pyrano[3,4-c]pyran-4-carboxylateFormula:
C19H30O11Smiles:
COC(=O)C1=COC(COC2OC(CO)C(O)C(O)C2O)C2C(C)OC(OC)CC12Aglycone:
COC(=O)C1=COC(CO)C2C(C)OC(OC)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.44 | Num_heavy_atoms: | 30 |
| TPSA: | 153.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD53778
Formula: C13H20O6
Smiles:
COC(=O)C1=COC(CO)C2C(C)OC(OC)CC12| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.77 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 272.3 | Num_heavy_atoms: | 19 |
| TPSA: | 74.22 | NumAromaticRings: | 0 |
