Glycoside
GD115892
Name:
methyl 4a-hydroxy-7-[(4-hydroxy-3-methoxybenzoyloxy)methyl]-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C25H30O14Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(=O)c3ccc(O)c(OC)c3)=CCC12OAglycone:
COC(=O)C1=COC(O)C2C(COC(=O)c3ccc(O)c(OC)c3)=CCC12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 8 |
| MolWt: | 554.5 | Num_heavy_atoms: | 39 |
| TPSA: | 210.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD45927
Formula: C19H20O9
Smiles:
COC(=O)C1=COC(O)C2C(COC(=O)c3ccc(O)c(OC)c3)=CCC12O| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 392.36 | Num_heavy_atoms: | 28 |
| TPSA: | 131.75 | NumAromaticRings: | 1 |
