Glycoside
GD128846
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-(4-methoxyphenyl)prop-2-enoateFormula:
C29H34O13Smiles:
COc1ccc(C=CC(=O)OC2C(OC(C)=O)C(C)OC(OC3C4C=COC(O)C4C4(CO)OC34)C2OC(C)=O)cc1Aglycone:
COc1ccc(C=CC(=O)O)cc1.OCC12OC1C(O)C1C=COC(O)C12Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 9 |
| MolWt: | 590.58 | Num_heavy_atoms: | 42 |
| TPSA: | 168.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD02513
Formula: C10H10O3
Smiles:
COc1ccc(C=CC(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | 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 |
