Glycoside
GD116236
Name:
methyl 7-(acetyloxy)-5-(benzoyloxy)-4a-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C26H32O14Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)(OC(C)=O)CC(OC(=O)c3ccccc3)C12OAglycone:
COC(=O)C1=COC(O)C2C(C)(OC(C)=O)CC(OC(=O)c3ccccc3)C12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 568.53 | Num_heavy_atoms: | 40 |
| TPSA: | 207.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD46123
Formula: C20H22O9
Smiles:
COC(=O)C1=COC(O)C2C(C)(OC(C)=O)CC(OC(=O)c3ccccc3)C12O| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 406.39 | Num_heavy_atoms: | 29 |
| TPSA: | 128.59 | NumAromaticRings: | 1 |
