Glycoside
GD154607
Name:
methyl 1-({6-[(2,5-dihydroxybenzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-8-methyl-6-oxo-1H,4aH,5H,6H,8H,8aH-pyrano[3,4-c]pyran-4-carboxylateFormula:
C24H28O14Smiles:
COC(=O)C1=COC(OC2OC(COC(=O)c3cc(O)ccc3O)C(O)C(O)C2O)C2C(C)OC(=O)CC12Aglycone:
COC(=O)C1=COC(O)C2C(C)OC(=O)CC12.COC(=O)c1cc(O)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 540.47 | Num_heavy_atoms: | 38 |
| TPSA: | 207.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD05089
Formula: C8H8O4
Smiles:
COC(=O)c1cc(O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
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 |
