Glycoside
GD120270
Name:
6-[(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxy]-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 6-hydroxy-2,6-dimethylocta-2,7-dienoateFormula:
C35H50O14Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC1C2OC2(C)C2C(OC3OC(CO)C(O)C(O)C3O)OC=CC12OC(=O)C(C)=CCCC(C)(O)C=CAglycone:
C=CC(C)(O)CCC=C(C)C(=O)OC1C2OC2(C)C2C(O)OC=CC12OC(=O)C(C)=CCCC(C)(O)C=CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.66 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 15 |
| MolWt: | 694.77 | Num_heavy_atoms: | 49 |
| TPSA: | 214.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD48293
Formula: C29H40O9
Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC1C2OC2(C)C2C(O)OC=CC12OC(=O)C(C)=CCCC(C)(O)C=C| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.59 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 12 |
| MolWt: | 532.63 | Num_heavy_atoms: | 38 |
| TPSA: | 135.05 | NumAromaticRings: | 0 |
