Glycoside
GD120547
Name:
7-[(benzoyloxy)methyl]-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C23H28O11Smiles:
O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(=O)c3ccccc3)CCC12Aglycone:
O=C(O)C1=COC(O)C2C(COC(=O)c3ccccc3)CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 480.47 | Num_heavy_atoms: | 34 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD48445
Formula: C17H18O6
Smiles:
O=C(O)C1=COC(O)C2C(COC(=O)c3ccccc3)CCC12| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.41 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 318.33 | Num_heavy_atoms: | 23 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
