Glycoside
GD062299
Name:
NoneFormula:
C19H18O6Smiles:
O=C(OC[C@H]1O[C@H](O)C[C@H]1OC(=O)c1ccccc1)c1ccccc1Aglycone:
COC(=O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OC1CC(O)C(O)O1Other Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.26 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 342.35 | Num_heavy_atoms: | 25 |
| TPSA: | 82.06 | 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 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
