Glycoside
GD016604
Name:
4a,5-dihydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl 3-phenylprop-2-enoateFormula:
C23H28O11Smiles:
O=C(C=Cc1ccccc1)OC1CC(O)C2(O)C=CO[C@H](OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
O=C(C=Cc1ccccc1)OC1CC(O)C2(O)C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 480.47 | Num_heavy_atoms: | 34 |
| TPSA: | 175.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD11935
Formula: C17H18O6
Smiles:
O=C(C=Cc1ccccc1)OC1CC(O)C2(O)C=COC(O)C12| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.33 | Num_heavy_atoms: | 23 |
| TPSA: | 96.22 | NumAromaticRings: | 1 |
