Glycoside
GD009496
Name:
NoneFormula:
C23H19O9NF3ClSSmiles:
C[C@](OC1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O)(c1ccc(S(=O)(=O)c2ccc([14C]#N)cc2Cl)cc1)C(F)(F)FAglycone:
CC(O)(c1ccc(S(=O)(=O)c2ccc(C#N)cc2Cl)cc1)C(F)(F)FSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 567.9 | Num_heavy_atoms: | 37 |
| TPSA: | 174.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD07315
Formula: C17H11O3NF3ClS
Smiles:
CC(O)(c1ccc(S(=O)(=O)c2ccc(C#N)cc2Cl)cc1)C(F)(F)F| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 389.78 | Num_heavy_atoms: | 25 |
| TPSA: | 78.16 | NumAromaticRings: | 2 |
