Glycoside
GD138181
Name:
4-formyl-4a-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-6-yl 3-phenylprop-2-enoateFormula:
C25H30O11Smiles:
CC1C(OC(=O)C=Cc2ccccc2)CC2(O)C(C=O)=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC1C(OC(=O)C=Cc2ccccc2)CC2(O)C(C=O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 506.5 | Num_heavy_atoms: | 36 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD55797
Formula: C19H20O6
Smiles:
CC1C(OC(=O)C=Cc2ccccc2)CC2(O)C(C=O)=COC(O)C12| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.37 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 344.36 | Num_heavy_atoms: | 25 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
