Glycoside
GD030541
Name:
NoneFormula:
C21H18O4F2Smiles:
COc1ccc(OC2C(O)COC2C=CC#Cc2ccc(F)cc2F)cc1Aglycone:
C=CC#Cc1ccc(F)cc1F.COc1ccc(O)cc1Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 372.37 | Num_heavy_atoms: | 27 |
| TPSA: | 47.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD01111
Formula: C7H8O2
Smiles:
COc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
AD19757
Formula: C10H6F2
Smiles:
C=CC#Cc1ccc(F)cc1F| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 164.15 | Num_heavy_atoms: | 12 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
