Glycoside
GD145593
Name:
{3,4,5-trihydroxy-6-[(3-phenylprop-2-enoyl)oxy]oxan-2-yl}methyl 3-phenylprop-2-enoateFormula:
C24H24O8Smiles:
O=C(C=Cc1ccccc1)OCC1OC(OC(=O)C=Cc2ccccc2)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccccc1.O=C(O)C=Cc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 440.45 | Num_heavy_atoms: | 32 |
| TPSA: | 122.52 | NumAromaticRings: | 2 |
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 |
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
