Glycoside
GD126957
Name:
3,5-bis(acetyloxy)-2-{[10-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-5-yl]oxy}-6-methyloxan-4-yl 3-phenylprop-2-enoateFormula:
C28H32O12Smiles:
CC(=O)OC1C(C)OC(OC2C3C=COC(O)C3C3(CO)OC23)C(OC(C)=O)C1OC(=O)C=Cc1ccccc1Aglycone:
O=C(O)C=Cc1ccccc1.OCC12OC1C(O)C1C=COC(O)C12Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 8 |
| MolWt: | 560.55 | Num_heavy_atoms: | 40 |
| TPSA: | 159.58 | NumAromaticRings: | 1 |
Unique Aglycone
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD04913
Formula: C9H12O5
Smiles:
OCC12OC1C(O)C1C=COC(O)C12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.19 | Num_heavy_atoms: | 14 |
| TPSA: | 82.45 | NumAromaticRings: | 0 |
