Glycoside
GD146701
Name:
7-[(3,4-dihydroxybenzoyloxy)methyl]-5-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C23H24O14Smiles:
O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(=O)c3ccc(O)c(O)c3)=CC(=O)C12Aglycone:
O=C(O)C1=COC(O)C2C(COC(=O)c3ccc(O)c(O)c3)=CC(=O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 524.43 | Num_heavy_atoms: | 37 |
| TPSA: | 229.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD58803
Formula: C17H14O9
Smiles:
O=C(O)C1=COC(O)C2C(COC(=O)c3ccc(O)c(O)c3)=CC(=O)C12| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 362.29 | Num_heavy_atoms: | 26 |
| TPSA: | 150.59 | NumAromaticRings: | 1 |
