Glycoside
GD135889
Name:
2-(4-formylphenoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C22H22O9Smiles:
O=Cc1ccc(OC2OC(CO)C(O)C(OC(=O)C=Cc3ccc(O)cc3)C2O)cc1Aglycone:
O=C(O)C=Cc1ccc(O)cc1.O=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 430.41 | Num_heavy_atoms: | 31 |
| 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 |
AD01669
Formula: C7H6O2
Smiles:
O=Cc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
