Glycoside
GD141203
Name:
methyl 7-[(benzoyloxy)methyl]-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C24H28O11Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(=O)c3ccccc3)=CCC12Aglycone:
COC(=O)C1=COC(O)C2C(COC(=O)c3ccccc3)=CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 492.48 | Num_heavy_atoms: | 35 |
| TPSA: | 161.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD56904
Formula: C18H18O6
Smiles:
COC(=O)C1=COC(O)C2C(COC(=O)c3ccccc3)=CCC12| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.34 | Num_heavy_atoms: | 24 |
| TPSA: | 82.06 | NumAromaticRings: | 1 |
