Glycoside
GD135091
Name:
methyl 6-hydroxy-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:
C18H28O11Smiles:
COC(=O)C1=COC(COC2OC(CO)C(O)C(O)C2O)C2C(C)OC(O)CC12Aglycone:
COC(=O)C1=COC(CO)C2C(C)OC(O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 420.41 | Num_heavy_atoms: | 29 |
| TPSA: | 164.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD54638
Formula: C12H18O6
Smiles:
COC(=O)C1=COC(CO)C2C(C)OC(O)CC12| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 258.27 | Num_heavy_atoms: | 18 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
