Glycoside
GD118588
Name:
methyl 4-(4-hydroxybenzoyl)-5-oxo-7'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5H-3',8'-dioxaspiro[furan-2,5'-tricyclo[4.4.0.0²,â´]decan]-9'-ene-10'-carboxylateFormula:
C26H26O14Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C1OC1C21C=C(C(=O)c2ccc(O)cc2)C(=O)O1Aglycone:
COC(=O)C1=COC(O)C2C1C1OC1C21C=C(C(=O)c2ccc(O)cc2)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 562.48 | Num_heavy_atoms: | 40 |
| TPSA: | 211.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD47437
Formula: C20H16O9
Smiles:
COC(=O)C1=COC(O)C2C1C1OC1C21C=C(C(=O)c2ccc(O)cc2)C(=O)O1| HBA: | 9 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 400.34 | Num_heavy_atoms: | 29 |
| TPSA: | 131.89 | NumAromaticRings: | 1 |
