Glycoside
GD150195
Name:
8-[(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)methoxy]-3,7-dimethyl-8-oxoocta-2,6-dien-1-yl 8-hydroxy-2,6-dimethylocta-2,6-dienoateFormula:
C35H50O14Smiles:
CC(=CCO)CCC=C(C)C(=O)OCC=C(C)CCC=C(C)C(=O)OCC12OC1C(O)C1C=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC(=CCO)CCC=C(C)C(=O)OCC=C(C)CCC=C(C)C(=O)OCC12OC1C(O)C1C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.66 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 16 |
| MolWt: | 694.77 | Num_heavy_atoms: | 49 |
| TPSA: | 214.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD60012
Formula: C29H40O9
Smiles:
CC(=CCO)CCC=C(C)C(=O)OCC=C(C)CCC=C(C)C(=O)OCC12OC1C(O)C1C=COC(O)C12| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.59 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 13 |
| MolWt: | 532.63 | Num_heavy_atoms: | 38 |
| TPSA: | 135.05 | NumAromaticRings: | 0 |
