Glycoside
GD148466
Name:
4,5-dihydroxy-2-{2-[(1-hydroxy-5-oxocyclohex-2-ene-1-carbonyloxy)methyl]phenoxy}-6-(hydroxymethyl)oxan-3-yl benzoateFormula:
C27H28O11Smiles:
O=C1CC=CC(O)(C(=O)OCc2ccccc2OC2OC(CO)C(O)C(O)C2OC(=O)c2ccccc2)C1Aglycone:
O=C(O)c1ccccc1.O=C1CC=CC(O)(C(=O)OCc2ccccc2O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 528.51 | Num_heavy_atoms: | 38 |
| TPSA: | 169.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD59406
Formula: C14H14O5
Smiles:
O=C1CC=CC(O)(C(=O)OCc2ccccc2O)C1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 262.26 | Num_heavy_atoms: | 19 |
| TPSA: | 83.83 | NumAromaticRings: | 1 |
