Glycoside
GD130373
Name:
methyl 7-{[(4-oxobutanoyl)oxy]methyl}-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C21H28O12Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(COC(=O)CCC=O)=CCC12Aglycone:
COC(=O)C1=COC(O)C2C(COC(=O)CCC=O)=CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 9 |
| MolWt: | 472.44 | Num_heavy_atoms: | 33 |
| TPSA: | 178.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD52834
Formula: C15H18O7
Smiles:
COC(=O)C1=COC(O)C2C(COC(=O)CCC=O)=CCC12| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 310.3 | Num_heavy_atoms: | 22 |
| TPSA: | 99.13 | NumAromaticRings: | 0 |
