Glycoside
GD144672
Name:
[3,4,5-tris(acetyloxy)-6-{[5-(acetyloxy)-2-[(acetyloxy)methyl]-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-10-yl]oxy}oxan-2-yl]methyl 3-phenylprop-2-enoateFormula:
C34H38O16Smiles:
CC(=O)OCC12OC1C(OC(C)=O)C1C=COC(OC3OC(COC(=O)C=Cc4ccccc4)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C12Aglycone:
CC(=O)OCC12OC1C(OC(C)=O)C1C=COC(O)C12.COC(=O)C=Cc1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 12 |
| MolWt: | 702.66 | Num_heavy_atoms: | 50 |
| TPSA: | 198.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD01108
Formula: C13H16O7
Smiles:
CC(=O)OCC12OC1C(OC(C)=O)C1C=COC(O)C12| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 284.26 | Num_heavy_atoms: | 20 |
| TPSA: | 94.59 | NumAromaticRings: | 0 |
