Glycoside
GD146445
Name:
2-methyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-5-yl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C24H28O12Smiles:
CC12OC1C(OC(=O)C=Cc1ccc(O)c(O)c1)C1C=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC12OC1C(OC(=O)C=Cc1ccc(O)c(O)c1)C1C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 508.48 | Num_heavy_atoms: | 36 |
| TPSA: | 187.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD58725
Formula: C18H18O7
Smiles:
CC12OC1C(OC(=O)C=Cc1ccc(O)c(O)c1)C1C=COC(O)C12| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.34 | Num_heavy_atoms: | 25 |
| TPSA: | 108.75 | NumAromaticRings: | 1 |
