Glycoside
GD139257
Name:
methyl 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:
C24H28O12Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(=O)c3ccccc3)=CC(O)C12Aglycone:
COC(=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: | 0.5 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 508.48 | Num_heavy_atoms: | 36 |
| TPSA: | 181.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD56156
Formula: C18H18O7
Smiles:
COC(=O)C1=COC(O)C2C(COC(=O)c3ccccc3)=CC(O)C12| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.33 | Num_heavy_atoms: | 25 |
| TPSA: | 102.29 | NumAromaticRings: | 1 |
