Glycoside
GD026345
Name:
4-{[4-(methoxycarbonyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-7-yl]methoxy}-4-oxobutanoic acidFormula:
C21H28O13Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(=O)CCC(=O)O)=CC[C@H]12Aglycone:
COC(=O)C1=COC(O)C2C(COC(=O)CCC(=O)O)=CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.81 | Num_rotatable_bonds: | 9 |
| MolWt: | 488.44 | Num_heavy_atoms: | 34 |
| TPSA: | 198.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD17370
Formula: C15H18O8
Smiles:
COC(=O)C1=COC(O)C2C(COC(=O)CCC(=O)O)=CCC12| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 326.3 | Num_heavy_atoms: | 23 |
| TPSA: | 119.36 | NumAromaticRings: | 0 |
