Glycoside
GD126047
Name:
(3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl)methyl 3-phenylprop-2-enoateFormula:
C24H24O9Smiles:
O=C(C=Cc1ccccc1)OCC1OC(OC(=O)C=Cc2ccc(O)cc2)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccccc1.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 456.45 | Num_heavy_atoms: | 33 |
| TPSA: | 142.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | 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 |
