Glycoside
GD126685
Name:
6-[(4-ethyl-4-methyl-2-oxooxolan-3-yl)oxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2-methylbut-2-enoyl)oxy]oxan-3-yl 2-methylbut-2-enoateFormula:
C23H34O10Smiles:
CC=C(C)C(=O)OC1C(CO)OC(OC2C(=O)OCC2(C)CC)C(O)C1OC(=O)C(C)=CCAglycone:
CC=C(C)C(=O)O.CC=C(C)C(=O)O.CCC1(C)COC(=O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 470.52 | Num_heavy_atoms: | 33 |
| TPSA: | 137.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD00342
Formula: C5H8O2
Smiles:
CC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD51275
Formula: C7H12O3
Smiles:
CCC1(C)COC(=O)C1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 144.17 | Num_heavy_atoms: | 10 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
