Glycoside
GD134547
Name:
(5-hydroxy-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-(3-hydroxy-4-methoxyphenyl)prop-2-enoateFormula:
C25H30O13Smiles:
COc1ccc(C=CC(=O)OCC23OC2C(O)C2C=COC(OC4OC(CO)C(O)C(O)C4O)C23)cc1OAglycone:
COc1ccc(C=CC(=O)OCC23OC2C(O)C2C=COC(O)C23)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 538.5 | Num_heavy_atoms: | 38 |
| TPSA: | 197.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD54429
Formula: C19H20O8
Smiles:
COc1ccc(C=CC(=O)OCC23OC2C(O)C2C=COC(O)C23)cc1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 376.36 | Num_heavy_atoms: | 27 |
| TPSA: | 117.98 | NumAromaticRings: | 1 |
