Glycoside
GD123690
Name:
(5-{[3,4-bis(acetyloxy)-5-hydroxy-6-methyloxan-2-yl]oxy}-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-2-yl)methyl 3-phenylprop-2-enoateFormula:
C34H42O17Smiles:
CC(=O)OC1C(OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(COC(=O)C=Cc4ccccc4)OC23)OC(C)C(O)C1OC(C)=OAglycone:
O=C(C=Cc1ccccc1)OCC12OC1C(O)C1C=COC(O)C12Sugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OC(C)=O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 11 |
| MolWt: | 722.69 | Num_heavy_atoms: | 51 |
| TPSA: | 238.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD02680
Formula: C18H18O6
Smiles:
O=C(C=Cc1ccccc1)OCC12OC1C(O)C1C=COC(O)C12| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.34 | Num_heavy_atoms: | 24 |
| TPSA: | 88.52 | NumAromaticRings: | 1 |
