Glycoside
GD124299
Name:
methyl 7-(2-oxopropyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C19H26O10Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CC(C)=O)=CCC12Aglycone:
COC(=O)C1=COC(O)C2C(CC(C)=O)=CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.41 | Num_heavy_atoms: | 29 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD50207
Formula: C13H16O5
Smiles:
COC(=O)C1=COC(O)C2C(CC(C)=O)=CCC12| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.54 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 252.27 | Num_heavy_atoms: | 18 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
