Glycoside
GD002104
Name:
NoneFormula:
C22H26O6Smiles:
COc1ccc(COC2CC(OC)OC(C)C2OC(=O)c2ccccc2)cc1Aglycone:
COc1ccc(CO)cc1.O=C(O)c1ccccc1Sugarmoiety:
COC1CC(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.41 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 7 |
| MolWt: | 386.44 | Num_heavy_atoms: | 28 |
| TPSA: | 63.22 | 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 |
AD00337
Formula: C8H10O2
Smiles:
COc1ccc(CO)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
