Glycoside
GD021506
Name:
NoneFormula:
C25H27O8NF3SISmiles:
C=CCOC1C(O)C(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)OC(Oc2ccc(I)cc2)C1OC(=O)CCAglycone:
CCC(=O)O.CNS(=O)(=O)c1cccc(C(F)(F)F)c1.Oc1ccc(I)cc1Sugarmoiety:
C=CCOC1C(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 11 |
| MolWt: | 685.46 | Num_heavy_atoms: | 39 |
| TPSA: | 120.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD00155
Formula: C3H6O2
Smiles:
CCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD01382
Formula: C6H5OI
Smiles:
Oc1ccc(I)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 220.01 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD03427
Formula: C8H8O2NF3S
Smiles:
CNS(=O)(=O)c1cccc(C(F)(F)F)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 239.22 | Num_heavy_atoms: | 15 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
