Glycoside
GD135934
Name:
{3,4,5-trihydroxy-6-[(3-phenylprop-2-enoyl)oxy]oxan-2-yl}methyl 4-hydroxy-2-methylidenebutanoateFormula:
C20H24O9Smiles:
C=C(CCO)C(=O)OCC1OC(OC(=O)C=Cc2ccccc2)C(O)C(O)C1OAglycone:
C=C(CCO)C(=O)OC.O=C(O)C=Cc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 408.4 | Num_heavy_atoms: | 29 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD02615
Formula: C6H10O3
Smiles:
C=C(CCO)C(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 130.14 | Num_heavy_atoms: | 9 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
