Glycoside
GD121054
Name:
{3,4,5-trihydroxy-6-[(5-{5-hydroxy-5-methyl-3-methylidene-2-oxo-hexahydro-2H-cyclopenta[b]furan-4-yl}-4-methyl-5-oxopentyl)oxy]oxan-2-yl}methyl acetateFormula:
C23H34O11Smiles:
C=C1C(=O)OC2CC(C)(O)C(C(=O)C(C)CCCOC3OC(COC(C)=O)C(O)C(O)C3O)C12Aglycone:
C=C1C(=O)OC2CC(C)(O)C(C(=O)C(C)CCCO)C12.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 9 |
| MolWt: | 486.51 | Num_heavy_atoms: | 34 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD48693
Formula: C15H22O5
Smiles:
C=C1C(=O)OC2CC(C)(O)C(C(=O)C(C)CCCO)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 282.34 | Num_heavy_atoms: | 20 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
