Glycoside
GD139503
Name:
[6-(2,4-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-hydroxy-3-phenylpropanoateFormula:
C21H24O10Smiles:
O=C(CC(O)c1ccccc1)OCC1OC(Oc2ccc(O)cc2O)C(O)C(O)C1OAglycone:
COC(=O)CC(O)c1ccccc1.Oc1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 436.41 | Num_heavy_atoms: | 31 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD22395
Formula: C6H6O3
Smiles:
Oc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
AD56251
Formula: C10H12O3
Smiles:
COC(=O)CC(O)c1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
