Glycoside
GD116686
Name:
7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-5-yl 3-(4-methoxyphenyl)prop-2-enoateFormula:
C25H30O11Smiles:
COc1ccc(C=CC(=O)OC2C=C(CO)C3C(OC4OC(CO)C(O)C(O)C4O)OC=CC23)cc1Aglycone:
COc1ccc(C=CC(=O)OC2C=C(CO)C3C(O)OC=CC23)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 506.5 | Num_heavy_atoms: | 36 |
| TPSA: | 164.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD46383
Formula: C19H20O6
Smiles:
COc1ccc(C=CC(=O)OC2C=C(CO)C3C(O)OC=CC23)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.32 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 344.36 | Num_heavy_atoms: | 25 |
| TPSA: | 85.22 | NumAromaticRings: | 1 |
