Glycoside
GD140545
Name:
ethyl 7-[(benzoyloxy)methyl]-5-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C25H30O12Smiles:
CCOC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(=O)c3ccccc3)=CC(O)C12Aglycone:
CCOC(=O)C1=COC(O)C2C(COC(=O)c3ccccc3)=CC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 522.5 | Num_heavy_atoms: | 37 |
| TPSA: | 181.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD56666
Formula: C19H20O7
Smiles:
CCOC(=O)C1=COC(O)C2C(COC(=O)c3ccccc3)=CC(O)C12| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.37 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 360.36 | Num_heavy_atoms: | 26 |
| TPSA: | 102.29 | NumAromaticRings: | 1 |
