Glycoside
GD145739
Name:
8-ethylidene-14-hydroxy-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]heptadec-4-ene-3,11-dioneFormula:
C26H38O13Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC3CC(C(C)CO)C(O)(COC(=O)CC21)C3CAglycone:
CC=C1C(O)OC=C2C(=O)OC3CC(C(C)CO)C(O)(COC(=O)CC21)C3CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 558.58 | Num_heavy_atoms: | 39 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD58479
Formula: C20H28O8
Smiles:
CC=C1C(O)OC=C2C(=O)OC3CC(C(C)CO)C(O)(COC(=O)CC21)C3C| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 396.44 | Num_heavy_atoms: | 28 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
