Glycoside
GD131718
Name:
6-(4-hydroxybenzoyloxy)-7-methylidene-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C23H26O12Smiles:
C=C1C(OC(=O)c2ccc(O)cc2)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
C=C1C(OC(=O)c2ccc(O)cc2)CC2C(C(=O)O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 494.45 | Num_heavy_atoms: | 35 |
| TPSA: | 192.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD53348
Formula: C17H16O7
Smiles:
C=C1C(OC(=O)c2ccc(O)cc2)CC2C(C(=O)O)=COC(O)C12| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.31 | Num_heavy_atoms: | 24 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
