Glycoside
GD138983
Name:
[6-({5,6-dihydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-10-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-phenylprop-2-enoateFormula:
C24H28O11Smiles:
CC12OC1C(O)C1(O)C=COC(OC3OC(COC(=O)C=Cc4ccccc4)C(O)C(O)C3O)C12Aglycone:
CC12OC1C(O)C1(O)C=COC(O)C12.COC(=O)C=Cc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 492.48 | Num_heavy_atoms: | 35 |
| TPSA: | 167.67 | 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 |
AD05723
Formula: C9H12O5
Smiles:
CC12OC1C(O)C1(O)C=COC(O)C12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 0 |
| MolWt: | 200.19 | Num_heavy_atoms: | 14 |
| TPSA: | 82.45 | NumAromaticRings: | 0 |
