Glycoside
GD118766
Name:
methyl 8-methyl-6-oxo-1-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,8H,8aH-pyrano[3,4-c]pyran-4-carboxylateFormula:
C23H34O16Smiles:
COC(=O)C1=COC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2C(C)OC(=O)CC12Aglycone:
COC(=O)C1=COC(O)C2C(C)OC(=O)CC12Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | -4.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 566.51 | Num_heavy_atoms: | 39 |
| TPSA: | 240.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD36289
Formula: C11H14O6
Smiles:
COC(=O)C1=COC(O)C2C(C)OC(=O)CC12| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 242.23 | Num_heavy_atoms: | 17 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
