Glycoside
GD156696
Name:
4a-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl 3-phenylprop-2-enoateFormula:
C24H30O10Smiles:
CC1(OC(=O)C=Cc2ccccc2)CCC2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC1(OC(=O)C=Cc2ccccc2)CCC2(O)C=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 478.49 | Num_heavy_atoms: | 34 |
| TPSA: | 155.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD62020
Formula: C18H20O5
Smiles:
CC1(OC(=O)C=Cc2ccccc2)CCC2(O)C=COC(O)C21| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 316.35 | Num_heavy_atoms: | 23 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
