Glycoside
GD140674
Name:
4-({[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-7-methyl-6-oxo-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoateFormula:
C26H40O14Smiles:
CC(C)CC(=O)OC1OC=C(COC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)C2CC(=O)C(C)C12Aglycone:
CC(C)CC(=O)OC1OC=C(CO)C2CC(=O)C(C)C12Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 10 |
| MolWt: | 576.59 | Num_heavy_atoms: | 40 |
| TPSA: | 210.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD56716
Formula: C15H22O5
Smiles:
CC(C)CC(=O)OC1OC=C(CO)C2CC(=O)C(C)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 282.34 | Num_heavy_atoms: | 20 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
