Glycoside
GD120003
Name:
methyl 6-(acetyloxy)-5-(benzoyloxy)-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C26H32O13Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(OC(C)=O)C(OC(=O)c3ccccc3)C12Aglycone:
COC(=O)C1=COC(O)C2C(C)C(OC(C)=O)C(OC(=O)c3ccccc3)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 7 |
| MolWt: | 552.53 | Num_heavy_atoms: | 39 |
| TPSA: | 187.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD48160
Formula: C20H22O8
Smiles:
COC(=O)C1=COC(O)C2C(C)C(OC(C)=O)C(OC(=O)c3ccccc3)C12| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.39 | Num_heavy_atoms: | 28 |
| TPSA: | 108.36 | NumAromaticRings: | 1 |
