Glycoside
GD120314
Name:
7-(acetyloxy)-4a-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-5-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C26H32O13Smiles:
CC(=O)OC1(C)CC(OC(=O)C=Cc2ccc(O)cc2)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC(=O)OC1(C)CC(OC(=O)C=Cc2ccc(O)cc2)C2(O)C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 7 |
| MolWt: | 552.53 | Num_heavy_atoms: | 39 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD48322
Formula: C20H22O8
Smiles:
CC(=O)OC1(C)CC(OC(=O)C=Cc2ccc(O)cc2)C2(O)C=COC(O)C12| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.39 | Num_heavy_atoms: | 28 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
