Glycoside
GD145750
Name:
8-ethylidene-15-(1-hydroxypropan-2-yl)-17-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,6,12-trioxatricyclo[12.2.1.0â´,â¹]heptadeca-4,9-diene-3,11-dioneFormula:
C26H36O12Smiles:
CC=C1C2=CC(=O)OCC3C(C)C(CC3C(C)CO)OC(=O)C2=COC1OC1OC(CO)C(O)C(O)C1OAglycone:
CC=C1C2=CC(=O)OCC3C(C)C(CC3C(C)CO)OC(=O)C2=COC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 540.56 | Num_heavy_atoms: | 38 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD58482
Formula: C20H26O7
Smiles:
CC=C1C2=CC(=O)OCC3C(C)C(CC3C(C)CO)OC(=O)C2=COC1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 378.42 | Num_heavy_atoms: | 27 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
