Glycoside
GD139357
Name:
methyl 7-{[(5-phenylpenta-2,4-dienoyl)oxy]methyl}-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C28H32O11Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(=O)C=CC=Cc3ccccc3)=CCC12Aglycone:
COC(=O)C1=COC(O)C2C(COC(=O)C=CC=Cc3ccccc3)=CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 9 |
| MolWt: | 544.55 | Num_heavy_atoms: | 39 |
| TPSA: | 161.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD56192
Formula: C22H22O6
Smiles:
COC(=O)C1=COC(O)C2C(COC(=O)C=CC=Cc3ccccc3)=CCC12| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 382.41 | Num_heavy_atoms: | 28 |
| TPSA: | 82.06 | NumAromaticRings: | 1 |
